2-Phenylisonicotinonitrile
TL;DR: 2-Phenylisonicotinonitrile (CAS 33744-17-1) 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.
2-phenylpyridine-4-carbonitrile
Also Known As: 2-Phenylisonicotinonitrile, 2-phenylpyridine-4-carbonitrile, 4-Cyano-2-phenylpyridine, phenylisonicotinonitrile, 2-Phenyl-isonicotinonitril
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.5 |
| 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 | 33744-17-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=CC(=C2)C#N |
| InChIKey | VXEVXBMHURSJRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylisonicotinonitrile (CAS 33744-17-1), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 2-phenylpyridine-4-carbonitrile.
Chemical Property Profile of 2-Phenylisonicotinonitrile
Property Insights of 2-Phenylisonicotinonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylisonicotinonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Phenylisonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylisonicotinonitrile 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 2-Phenylisonicotinonitrile?
The CAS number of 2-Phenylisonicotinonitrile is 33744-17-1.
What is the molecular formula of 2-Phenylisonicotinonitrile?
The molecular formula of 2-Phenylisonicotinonitrile is C12H8N2.
What is the molecular weight of 2-Phenylisonicotinonitrile?
The molecular weight of 2-Phenylisonicotinonitrile is 180.07 g/mol.
Where can I buy 2-Phenylisonicotinonitrile?
You can request a quote for 2-Phenylisonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylisonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylisonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.