Methyl 2-chloro-3-cyano-6-methylisonicotinate
TL;DR: Methyl 2-chloro-3-cyano-6-methylisonicotinate (CAS 5966-45-0) is a chemical compound with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate
Also Known As: methyl 2-chloro-3-cyano-6-methylisonicotinate, methyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate, METHYL 2-CHLORO-3-CYANO-6-METHYL-PYRIDINE-4-CARBOXYLATE, Methyl-2-chloro-3-cyano-6-methylpyridin-4-carboxylat, RefChem:354171
| Molecular Formula | C9H7ClN2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0196 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 5966-45-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)Cl)C#N)C(=O)OC |
| InChIKey | NWWBHRSPKWWFEO-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloro-3-cyano-6-methylisonicotinate (CAS 5966-45-0), with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol. IUPAC: methyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate.
Chemical Property Profile of Methyl 2-chloro-3-cyano-6-methylisonicotinate
Property Insights of Methyl 2-chloro-3-cyano-6-methylisonicotinate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-3-cyano-6-methylisonicotinate. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-chloro-3-cyano-6-methylisonicotinate. Following Lipinski's Rule of Five, Methyl 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 Methyl 2-chloro-3-cyano-6-methylisonicotinate?
The CAS number of Methyl 2-chloro-3-cyano-6-methylisonicotinate is 5966-45-0.
What is the molecular formula of Methyl 2-chloro-3-cyano-6-methylisonicotinate?
The molecular formula of Methyl 2-chloro-3-cyano-6-methylisonicotinate is C9H7ClN2O2.
What is the molecular weight of Methyl 2-chloro-3-cyano-6-methylisonicotinate?
The molecular weight of Methyl 2-chloro-3-cyano-6-methylisonicotinate is 210.02 g/mol.
Where can I buy Methyl 2-chloro-3-cyano-6-methylisonicotinate?
You can request a quote for Methyl 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 Methyl 2-chloro-3-cyano-6-methylisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-3-cyano-6-methylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.