3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
![3-[3-(4-chlorophenyl)triazol-4-yl]pyridine Structure](https://image.chemsrc.com/caspic/399/110684-29-2.png)
3-[3-(4-chlorophenyl)triazol-4-yl]pyridine structure
|
Common Name | 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine | ||
|---|---|---|---|---|
| CAS Number | 110684-29-2 | Molecular Weight | 256.69000 | |
| Density | 1.34g/cm3 | Boiling Point | 460.4ºC at 760mmHg | |
| Molecular Formula | C13H9ClN4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 232.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.34g/cm3 |
|---|---|
| Boiling Point | 460.4ºC at 760mmHg |
| Molecular Formula | C13H9ClN4 |
| Molecular Weight | 256.69000 |
| Flash Point | 232.2ºC |
| Exact Mass | 256.05200 |
| PSA | 43.60000 |
| LogP | 2.98270 |
| Vapour Pressure | 1.17E-08mmHg at 25°C |
| Index of Refraction | 1.685 |
| InChIKey | VWVOOTWFRFMDJT-UHFFFAOYSA-N |
| SMILES | Clc1ccc(-n2nncc2-c2cccnc2)cc1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~85%
3-[3-(4-chlorop... CAS#:110684-29-2 |
| Literature: Kadaba, Pankaja Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 196 - 203 |
|
~%
3-[3-(4-chlorop... CAS#:110684-29-2 |
| Literature: Kadaba, Pankaja K.; Parmley, Gordon; Crooks, Peter A.; Agha, Bushra Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1191 - 1196 |
|
~%
3-[3-(4-chlorop... CAS#:110684-29-2 |
| Literature: Irie, Takayuki; Fujii, Ikuo; Sawa, Masaaki Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 591 - 596 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Neurological deficit in mouse measured by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL744753
|
|
Name: Anticonvulsant activity in mice, measured by subcutaneous pentylenetetrazole seizure ...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL733646
|
|
Name: Anticonvulsant activity in mice, measured by maximal electroshock seizure (MES) test.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL732865
|
|
Name: Protective index (PI),anticonvulsant activity, ratio of TD50/ED50 value in scMet test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL850831
|
|
Name: Protective index (PI), anticonvulsant activity, ratio of TD50/ED50 value in maximal e...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL850830
|
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: SMILES notation of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is Clc1ccc(-n2nncc2-c2cccnc2)cc1. |
| Q: What is the molecular formula of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: Molecular formula of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is C13H9ClN4. |
| Q: What is the Chinese name of 110684-29-2? |
| A: Chinese name of 110684-29-2 is 110684-29-2. |
| Q: What is the LogP of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: LogP of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is 2.98270. |
| Q: What is the polar surface area (PSA) of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: Polar surface area (PSA) of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is 43.60000. |
| Q: What is the English name of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: The English name of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine. |
| Q: What is the boiling point of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: Boiling point of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is 460.4ºC at 760mmHg. |
| Q: What is the molecular weight of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: Molecular weight of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is 256.69000. |
| Q: What is the InChIKey of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: InChIKey of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is VWVOOTWFRFMDJT-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine? |
| A: CAS number of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is 110684-29-2. |