6-Hydroxynicotinonitrile
TL;DR: 6-Hydroxynicotinonitrile (CAS 95891-30-8) 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.
6-oxo-1H-pyridine-3-carbonitrile
Also Known As: 6-Hydroxynicotinonitrile, 3-cyano-6-hydroxypyridine, famotidine, 5-CYANO-2(1H)-PYRIDINONE, 6-oxo-1H-pyridine-3-carbonitrile
| Molecular Formula | C6H4N2O |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 0.24658 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.032364 |
| Heavy Atoms | 9 |
| Complexity | 274.16644 |
Chemical Identifiers
| CAS Number | 95891-30-8 |
|---|---|
| SMILES | C1=CC(=O)NC=C1C#N |
Product Overview
6-Hydroxynicotinonitrile (CAS 95891-30-8), with molecular formula C6H4N2O and molecular weight 120.03 g/mol. IUPAC: 6-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Hydroxynicotinonitrile
Property Insights of 6-Hydroxynicotinonitrile
The XLogP value of 0.24658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxynicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 6-Hydroxynicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxynicotinonitrile 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 6-Hydroxynicotinonitrile?
The CAS number of 6-Hydroxynicotinonitrile is 95891-30-8.
What is the molecular formula of 6-Hydroxynicotinonitrile?
The molecular formula of 6-Hydroxynicotinonitrile is C6H4N2O.
What is the molecular weight of 6-Hydroxynicotinonitrile?
The molecular weight of 6-Hydroxynicotinonitrile is 120.03 g/mol.
Where can I buy 6-Hydroxynicotinonitrile?
You can request a quote for 6-Hydroxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.