3-Pyridinecarbonitrile,1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)
3-Pyridinecarbonitrile,1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl) structure
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Common Name | 3-Pyridinecarbonitrile,1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl) | ||
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| CAS Number | 654-49-9 | Molecular Weight | 202.13300 | |
| Density | 1.4g/cm3 | Boiling Point | 270.9ºC at 760 mmHg | |
| Molecular Formula | C8H5F3N2O | Melting Point | 233-237 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 117.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4g/cm3 |
|---|---|
| Boiling Point | 270.9ºC at 760 mmHg |
| Melting Point | 233-237 °C(lit.) |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.13300 |
| Flash Point | 117.6ºC |
| Exact Mass | 202.03500 |
| PSA | 56.65000 |
| LogP | 1.57378 |
| Index of Refraction | 1.473 |
| InChIKey | IMPQPQKUDMOZHV-UHFFFAOYSA-N |
| SMILES | Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~92%
3-Pyridinecarbo... CAS#:654-49-9 |
| Literature: Gueden-Silber, Tuba; Klein, Kathrin; Seitz, Michael Dalton Transactions, 2013 , vol. 42, # 38 p. 13882 - 13888 |
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~69%
3-Pyridinecarbo... CAS#:654-49-9
Learn More
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| Literature: Journal of Fluorine Chemistry, , vol. 118, # 1-2 p. 73 - 79 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 3 | |
CAS#:451459-17-9
CAS#:13600-48-1
CAS#:22123-19-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile |
| MFCD01314908 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: Melting point of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 233-237 °C(lit.). |
| Q: What is the InChIKey of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: InChIKey of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is IMPQPQKUDMOZHV-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: Molecular formula of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is C8H5F3N2O. |
| Q: What is the CAS number of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: CAS number of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 654-49-9. |
| Q: What is the English name of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: The English name of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile. |
| Q: What are the downstream products of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: Related downstream products(CAS) of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile: 451459-17-9;13600-48-1;22123-19-9. |
| Q: What is the boiling point of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: Boiling point of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 270.9ºC at 760 mmHg. |
| Q: What English synonyms does 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile have? |
| A: English synonyms of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile: 6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, MFCD01314908. |
| Q: What is the SMILES notation of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: SMILES notation of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1. |
| Q: What is the molecular weight of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile? |
| A: Molecular weight of 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 202.13300. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |