2-Chloro-6-phenylnicotinonitrile
TL;DR: 2-Chloro-6-phenylnicotinonitrile (CAS 163563-64-2) is a chemical compound with molecular formula C12H7ClN2 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-phenylpyridine-3-carbonitrile
Also Known As: 2-chloro-6-phenylnicotinonitrile, 2-chloro-6-phenylpyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 2-chloro-6-phenyl-, 2-Chloro-3-cyano-6-phenylpyridine, 2-chloro-6-phenyl-pyridine-3-carbonitrile
| Molecular Formula | C12H7ClN2 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.02977 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 163563-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)Cl |
| InChIKey | NROZOMIVAHCNED-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-phenylnicotinonitrile (CAS 163563-64-2), with molecular formula C12H7ClN2 and molecular weight 214.03 g/mol. IUPAC: 2-chloro-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-6-phenylnicotinonitrile
Property Insights of 2-Chloro-6-phenylnicotinonitrile
The XLogP value of 3.2 indicates that 2-Chloro-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Chloro-6-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-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 2-Chloro-6-phenylnicotinonitrile?
The CAS number of 2-Chloro-6-phenylnicotinonitrile is 163563-64-2.
What is the molecular formula of 2-Chloro-6-phenylnicotinonitrile?
The molecular formula of 2-Chloro-6-phenylnicotinonitrile is C12H7ClN2.
What is the molecular weight of 2-Chloro-6-phenylnicotinonitrile?
The molecular weight of 2-Chloro-6-phenylnicotinonitrile is 214.03 g/mol.
Where can I buy 2-Chloro-6-phenylnicotinonitrile?
You can request a quote for 2-Chloro-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.