3-Cyano-2-pyridone
TL;DR: 3-Cyano-2-pyridone (CAS 97792-42-2) is a chemical compound with molecular formula C6H4N2O and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 2-Hydroxynicotinonitrile, 3-Cyano-2-hydroxypyridine, 2-Hydroxy-3-cyanopyridine, 2-Hydroxypyridine-3-carbonitrile, cyanopyridone
| Molecular Formula | C6H4N2O |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.032364 |
| Heavy Atoms | 9 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 97792-42-2 |
|---|---|
| SMILES | C1=CNC(=O)C(=C1)C#N |
| InChIKey | DYUMBFTYRJMAFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyano-2-pyridone (CAS 97792-42-2), with molecular formula C6H4N2O and molecular weight 120.03 g/mol. IUPAC: 2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 3-Cyano-2-pyridone
Property Insights of 3-Cyano-2-pyridone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-2-pyridone. With a topological polar surface area (TPSA) of 52.9 Ų, 3-Cyano-2-pyridone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-2-pyridone has 1 hydrogen bond donor(s) and 2 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-2-pyridone?
The CAS number of 3-Cyano-2-pyridone is 97792-42-2.
What is the molecular formula of 3-Cyano-2-pyridone?
The molecular formula of 3-Cyano-2-pyridone is C6H4N2O.
What is the molecular weight of 3-Cyano-2-pyridone?
The molecular weight of 3-Cyano-2-pyridone is 120.03 g/mol.
Where can I buy 3-Cyano-2-pyridone?
You can request a quote for 3-Cyano-2-pyridone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-2-pyridone?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-2-pyridone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.