Methyl 2-cyanonicotinate
TL;DR: Methyl 2-cyanonicotinate (CAS 53940-11-7) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyanopyridine-3-carboxylate
Also Known As: methyl 2-cyanonicotinate, methyl 2-cyanopyridine-3-carboxylate, 2-Cyano-3-pyridinecarboxylic acid methyl ester, methyl2-cyanonicotinate, 2-Cyanonicotinic acid methyl ester
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 53940-11-7 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)C#N |
| InChIKey | ANPYBZGPGODWJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-cyanonicotinate (CAS 53940-11-7), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: methyl 2-cyanopyridine-3-carboxylate.
Chemical Property Profile of Methyl 2-cyanonicotinate
Property Insights of Methyl 2-cyanonicotinate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyanonicotinate. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyanonicotinate. Following Lipinski's Rule of Five, Methyl 2-cyanonicotinate 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-cyanonicotinate?
The CAS number of Methyl 2-cyanonicotinate is 53940-11-7.
What is the molecular formula of Methyl 2-cyanonicotinate?
The molecular formula of Methyl 2-cyanonicotinate is C8H6N2O2.
What is the molecular weight of Methyl 2-cyanonicotinate?
The molecular weight of Methyl 2-cyanonicotinate is 162.04 g/mol.
Where can I buy Methyl 2-cyanonicotinate?
You can request a quote for Methyl 2-cyanonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyanonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyanonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.