Ethyl 2-chloro-3-cyano-6-methylisonicotinate
TL;DR: Ethyl 2-chloro-3-cyano-6-methylisonicotinate (CAS 40108-12-1) 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-3-cyano-6-methylpyridine-4-carboxylate
Also Known As: ethyl 2-chloro-3-cyano-6-methylisonicotinate, ethyl-2-chloro-3-cyano-6-methylisonicotinate, ethyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate, BUTTPARK 43\57-18, 5332AB
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 40108-12-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=C1)C)Cl)C#N |
| InChIKey | XUXBHWPRQGVLRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-chloro-3-cyano-6-methylisonicotinate (CAS 40108-12-1), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: ethyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate.
Chemical Property Profile of Ethyl 2-chloro-3-cyano-6-methylisonicotinate
Property Insights of Ethyl 2-chloro-3-cyano-6-methylisonicotinate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-3-cyano-6-methylisonicotinate. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-3-cyano-6-methylisonicotinate. Following Lipinski's Rule of Five, Ethyl 2-chloro-3-cyano-6-methylisonicotinate 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-3-cyano-6-methylisonicotinate?
The CAS number of Ethyl 2-chloro-3-cyano-6-methylisonicotinate is 40108-12-1.
What is the molecular formula of Ethyl 2-chloro-3-cyano-6-methylisonicotinate?
The molecular formula of Ethyl 2-chloro-3-cyano-6-methylisonicotinate is C10H9ClN2O2.
What is the molecular weight of Ethyl 2-chloro-3-cyano-6-methylisonicotinate?
The molecular weight of Ethyl 2-chloro-3-cyano-6-methylisonicotinate is 224.04 g/mol.
Where can I buy Ethyl 2-chloro-3-cyano-6-methylisonicotinate?
You can request a quote for Ethyl 2-chloro-3-cyano-6-methylisonicotinate 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-3-cyano-6-methylisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3-cyano-6-methylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.