3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
TL;DR: 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (CAS 98436-89-6) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid
Also Known As: 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid, 3-Cyano-2-hydroxy-6-methyl-isonicotinic acid, 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid, 2256AJ, 2258AJ
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 98436-89-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C#N)C(=O)O |
| InChIKey | VFYCCYIDGPBAMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (CAS 98436-89-6), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid.
Chemical Property Profile of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
Property Insights of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
The XLogP value of -0.2 indicates that 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid has 2 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 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid?
The CAS number of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is 98436-89-6.
What is the molecular formula of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid?
The molecular formula of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is C8H6N2O3.
What is the molecular weight of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid?
The molecular weight of 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is 178.04 g/mol.
Where can I buy 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid?
You can request a quote for 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.