Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate
TL;DR: Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate (CAS 60307-22-4) is a chemical compound with molecular formula C10H9ClN2O3 and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-5-cyano-2-methyl-6-oxo-1H-pyridine-4-carboxylate
Also Known As: ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate, AO-801/41077575, ethyl 3-chloro-5-cyano-2-methyl-6-oxo-1H-pyridine-4-carboxylate, ethyl 5-chloro-3-cyano-2-hydroxy-6-methylpyridine-4-carboxylate
| Molecular Formula | C10H9ClN2O3 |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 1.3851 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.03017 |
| Heavy Atoms | 16 |
| Complexity | 528.0913 |
Chemical Identifiers
| CAS Number | 60307-22-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)NC(=C1Cl)C)C#N |
Product Overview
Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate (CAS 60307-22-4), with molecular formula C10H9ClN2O3 and molecular weight 240.03 g/mol. IUPAC: ethyl 3-chloro-5-cyano-2-methyl-6-oxo-1H-pyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate
Property Insights of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate
The XLogP value of 1.3851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate. Following Lipinski's Rule of Five, Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate 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 Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate?
The CAS number of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate is 60307-22-4.
What is the molecular formula of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate?
The molecular formula of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate is C10H9ClN2O3.
What is the molecular weight of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate?
The molecular weight of Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate is 240.03 g/mol.
Where can I buy Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate?
You can request a quote for Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloro-5-cyano-6-hydroxy-2-methylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.