2-[3-Chloro-5-(trifluoromethyl)pyridinyl]-malonic acid dimethylester
Modify Date: 2025-11-28 16:12:17
![2-[3-Chloro-5-(trifluoromethyl)pyridinyl]-malonic acid dimethylester Structure](https://image.chemsrc.com/caspic/187/477859-76-0.png)
2-[3-Chloro-5-(trifluoromethyl)pyridinyl]-malonic acid dimethylester structure
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Common Name | 2-[3-Chloro-5-(trifluoromethyl)pyridinyl]-malonic acid dimethylester | ||
|---|---|---|---|---|
| CAS Number | 477859-76-0 | Molecular Weight | 311.64200 | |
| Density | 1.428±0.06 g/cm3 | Boiling Point | 299.6±35.0 °C | |
| Molecular Formula | C11H9ClF3NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | dimethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.428±0.06 g/cm3 |
|---|---|
| Boiling Point | 299.6±35.0 °C |
| Molecular Formula | C11H9ClF3NO4 |
| Molecular Weight | 311.64200 |
| Exact Mass | 311.01700 |
| PSA | 65.49000 |
| LogP | 2.18340 |
| InChIKey | HITBMJZLAOGWTA-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C(=O)OC)c1ncc(C(F)(F)F)cc1Cl |
| Storage condition | 2-8°C |
| Risk Phrases | 36/37/38 |
|---|---|
| Safety Phrases | 26-36/37/39 |
| HS Code | 2933399090 |
|
~86%
2-[3-Chloro-5-(... CAS#:477859-76-0 |
| Literature: Lhermitte, Frederic; Coqueron, Pierre-Yves; Desbordes, Philippe; HImmler, Thomas Patent: US2008/86008 A1, 2008 ; Location in patent: Page/Page column 13 ; |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| 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% |
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
|
|
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
|
|
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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| HMS2695A16 |
| dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate |
| 3-chloro-5-trifluoromethyl-2-pyridylmalonic acid dimethyl ester |