Ethyl 2-chloro-5-cyano-6-methylnicotinate
TL;DR: Ethyl 2-chloro-5-cyano-6-methylnicotinate (CAS 75894-43-8) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-5-cyano-6-methylpyridine-3-carboxylate
Also Known As: Ethyl 2-chloro-5-cyano-6-methylnicotinate, ethyl 2-chloro-5-cyano-6-methylpyridine-3-carboxylate, ethylchlorocyanomethylnicotinate, 9317AE, Ethyl2-chloro-5-cyano-6-methylnicotinate
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 2.0918 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 437.7839 |
Chemical Identifiers
| CAS Number | 75894-43-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)C)Cl |
Product Overview
Ethyl 2-chloro-5-cyano-6-methylnicotinate (CAS 75894-43-8), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: ethyl 2-chloro-5-cyano-6-methylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2-chloro-5-cyano-6-methylnicotinate
Property Insights of Ethyl 2-chloro-5-cyano-6-methylnicotinate
The XLogP value of 2.0918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-5-cyano-6-methylnicotinate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-5-cyano-6-methylnicotinate. Following Lipinski's Rule of Five, Ethyl 2-chloro-5-cyano-6-methylnicotinate has 0 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 2-chloro-5-cyano-6-methylnicotinate?
The CAS number of Ethyl 2-chloro-5-cyano-6-methylnicotinate is 75894-43-8.
What is the molecular formula of Ethyl 2-chloro-5-cyano-6-methylnicotinate?
The molecular formula of Ethyl 2-chloro-5-cyano-6-methylnicotinate is C10H9ClN2O2.
What is the molecular weight of Ethyl 2-chloro-5-cyano-6-methylnicotinate?
The molecular weight of Ethyl 2-chloro-5-cyano-6-methylnicotinate is 224.04 g/mol.
Where can I buy Ethyl 2-chloro-5-cyano-6-methylnicotinate?
You can request a quote for Ethyl 2-chloro-5-cyano-6-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-5-cyano-6-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-5-cyano-6-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.