2-Hydroxy-5-phenyl-nicotinonitrile
TL;DR: 2-Hydroxy-5-phenyl-nicotinonitrile (CAS 35982-93-5) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
Also Known As: 2-hydroxy-5-phenylnicotinonitrile, 2-Hydroxy-5-phenyl-nicotinonitrile, 2-oxo-5-phenyl-1H-pyridine-3-carbonitrile, Bionet2_000885, 3-cyano-5-phenylpyridin-2-one
| Molecular Formula | C12H8N2O |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06366 |
| Heavy Atoms | 15 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 35982-93-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CNC(=O)C(=C2)C#N |
| InChIKey | PPAIIRSMKNKVOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-5-phenyl-nicotinonitrile (CAS 35982-93-5), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Hydroxy-5-phenyl-nicotinonitrile
Property Insights of 2-Hydroxy-5-phenyl-nicotinonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-phenyl-nicotinonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 2-Hydroxy-5-phenyl-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-5-phenyl-nicotinonitrile 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 2-Hydroxy-5-phenyl-nicotinonitrile?
The CAS number of 2-Hydroxy-5-phenyl-nicotinonitrile is 35982-93-5.
What is the molecular formula of 2-Hydroxy-5-phenyl-nicotinonitrile?
The molecular formula of 2-Hydroxy-5-phenyl-nicotinonitrile is C12H8N2O.
What is the molecular weight of 2-Hydroxy-5-phenyl-nicotinonitrile?
The molecular weight of 2-Hydroxy-5-phenyl-nicotinonitrile is 196.06 g/mol.
Where can I buy 2-Hydroxy-5-phenyl-nicotinonitrile?
You can request a quote for 2-Hydroxy-5-phenyl-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-phenyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-phenyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.