2-Cyanoisonicotinic Acid
TL;DR: 2-Cyanoisonicotinic Acid (CAS 161233-97-2) is a chemical compound with molecular formula C7H4N2O2 and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanopyridine-4-carboxylic acid
Also Known As: 2-Cyanoisonicotinic acid, 2-cyanopyridine-4-carboxylic Acid, 2-Cyano-4-pyridine carboxylic acid, 2-Cyanoisonicotinicacid, 2-Cyano-4-pyridinecarboxylic acid
| Molecular Formula | C7H4N2O2 |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 0.65148 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.02728 |
| Heavy Atoms | 11 |
| Complexity | 327.4576 |
Chemical Identifiers
| CAS Number | 161233-97-2 |
|---|---|
| SMILES | C1=CN=C(C=C1C(=O)O)C#N |
Product Overview
2-Cyanoisonicotinic Acid (CAS 161233-97-2), with molecular formula C7H4N2O2 and molecular weight 148.03 g/mol. IUPAC: 2-cyanopyridine-4-carboxylic acid.
Chemical Property Profile of 2-Cyanoisonicotinic Acid
Property Insights of 2-Cyanoisonicotinic Acid
The XLogP value of 0.65148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoisonicotinic Acid. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanoisonicotinic Acid. Following Lipinski's Rule of Five, 2-Cyanoisonicotinic Acid has 1 hydrogen bond donor(s) and 3 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 2-Cyanoisonicotinic Acid?
The CAS number of 2-Cyanoisonicotinic Acid is 161233-97-2.
What is the molecular formula of 2-Cyanoisonicotinic Acid?
The molecular formula of 2-Cyanoisonicotinic Acid is C7H4N2O2.
What is the molecular weight of 2-Cyanoisonicotinic Acid?
The molecular weight of 2-Cyanoisonicotinic Acid is 148.03 g/mol.
Where can I buy 2-Cyanoisonicotinic Acid?
You can request a quote for 2-Cyanoisonicotinic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoisonicotinic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoisonicotinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.