5-Phenylnicotinonitrile
TL;DR: 5-Phenylnicotinonitrile (CAS 10177-11-4) is a chemical compound with molecular formula C12H8N2 and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylpyridine-3-carbonitrile
Also Known As: 5-Phenylnicotinonitrile, 5-phenylpyridine-3-carbonitrile, 5-phenyl-nicotinonitrile, 3-CYANO-5-PHENYLPYRIDINE, 3-Pyridinecarbonitrile,5-phenyl
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.06874 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 10177-11-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=CC(=C2)C#N |
| InChIKey | CTVJVGOUKSPYST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenylnicotinonitrile (CAS 10177-11-4), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 5-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Phenylnicotinonitrile
Property Insights of 5-Phenylnicotinonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylnicotinonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 5-Phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylnicotinonitrile has 0 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 5-Phenylnicotinonitrile?
The CAS number of 5-Phenylnicotinonitrile is 10177-11-4.
What is the molecular formula of 5-Phenylnicotinonitrile?
The molecular formula of 5-Phenylnicotinonitrile is C12H8N2.
What is the molecular weight of 5-Phenylnicotinonitrile?
The molecular weight of 5-Phenylnicotinonitrile is 180.07 g/mol.
Where can I buy 5-Phenylnicotinonitrile?
You can request a quote for 5-Phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.