2-Chloro-3-cyano-6-methylisonicotinicacid
TL;DR: 2-Chloro-3-cyano-6-methylisonicotinicacid (CAS 500545-40-4) is a chemical compound with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-cyano-6-methylpyridine-4-carboxylic acid
Also Known As: 2-Chloro-3-cyano-6-methylisonicotinicacid, 2-Chloro-3-cyano-6-methylisonicotinic acid, 2-chloro-3-cyano-6-methyl-isonicotinic acid, 2-chloro-3-cyano-6-methylpyridine-4-carboxylic acid
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.00395 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 500545-40-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)Cl)C#N)C(=O)O |
| InChIKey | PGMYOKRRXJGFAK-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-cyano-6-methylisonicotinicacid (CAS 500545-40-4), with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol. IUPAC: 2-chloro-3-cyano-6-methylpyridine-4-carboxylic acid.
Chemical Property Profile of 2-Chloro-3-cyano-6-methylisonicotinicacid
Property Insights of 2-Chloro-3-cyano-6-methylisonicotinicacid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-cyano-6-methylisonicotinicacid. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-cyano-6-methylisonicotinicacid. Following Lipinski's Rule of Five, 2-Chloro-3-cyano-6-methylisonicotinicacid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-cyano-6-methylisonicotinicacid?
The CAS number of 2-Chloro-3-cyano-6-methylisonicotinicacid is 500545-40-4.
What is the molecular formula of 2-Chloro-3-cyano-6-methylisonicotinicacid?
The molecular formula of 2-Chloro-3-cyano-6-methylisonicotinicacid is C8H5ClN2O2.
What is the molecular weight of 2-Chloro-3-cyano-6-methylisonicotinicacid?
The molecular weight of 2-Chloro-3-cyano-6-methylisonicotinicacid is 196.00 g/mol.
Where can I buy 2-Chloro-3-cyano-6-methylisonicotinicacid?
You can request a quote for 2-Chloro-3-cyano-6-methylisonicotinicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-cyano-6-methylisonicotinicacid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-cyano-6-methylisonicotinicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.