Ethyl 4-cyanonicotinate
TL;DR: Ethyl 4-cyanonicotinate (CAS 97316-51-3) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyanopyridine-3-carboxylate
Also Known As: ETHYL 4-CYANONICOTINATE, ETHYL4-CYANONICOTINATE, ethyl 4-cyanopyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 4-cyano-, ethyl ester, 4-CYANO-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 97316-51-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CN=C1)C#N |
| InChIKey | LKJBJQQYCFZTEF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-cyanonicotinate (CAS 97316-51-3), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: ethyl 4-cyanopyridine-3-carboxylate.
Chemical Property Profile of Ethyl 4-cyanonicotinate
Property Insights of Ethyl 4-cyanonicotinate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyanonicotinate. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyanonicotinate. Following Lipinski's Rule of Five, Ethyl 4-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 Ethyl 4-cyanonicotinate?
The CAS number of Ethyl 4-cyanonicotinate is 97316-51-3.
What is the molecular formula of Ethyl 4-cyanonicotinate?
The molecular formula of Ethyl 4-cyanonicotinate is C9H8N2O2.
What is the molecular weight of Ethyl 4-cyanonicotinate?
The molecular weight of Ethyl 4-cyanonicotinate is 176.06 g/mol.
Where can I buy Ethyl 4-cyanonicotinate?
You can request a quote for Ethyl 4-cyanonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyanonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyanonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.