2-Chloro-6-methyl-5-phenylnicotinonitrile
TL;DR: 2-Chloro-6-methyl-5-phenylnicotinonitrile (CAS 10176-63-3) is a chemical compound with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
Also Known As: 2-chloro-6-methyl-5-phenylnicotinonitrile, 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile, Bionet2_000841, 2-Chloro-6-methyl-5-phenyl-nicotinonitrile, 3-Pyridinecarbonitrile, 2-chloro-6-methyl-5-phenyl-
| Molecular Formula | C13H9ClN2 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 3.5821 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04543 |
| Heavy Atoms | 16 |
| Complexity | 556.13556 |
Chemical Identifiers
| CAS Number | 10176-63-3 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)Cl)C#N)C2=CC=CC=C2 |
Product Overview
2-Chloro-6-methyl-5-phenylnicotinonitrile (CAS 10176-63-3), with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol. IUPAC: 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-6-methyl-5-phenylnicotinonitrile
Property Insights of 2-Chloro-6-methyl-5-phenylnicotinonitrile
The XLogP value of 3.5821 indicates that 2-Chloro-6-methyl-5-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-Chloro-6-methyl-5-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-methyl-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 2-Chloro-6-methyl-5-phenylnicotinonitrile?
The CAS number of 2-Chloro-6-methyl-5-phenylnicotinonitrile is 10176-63-3.
What is the molecular formula of 2-Chloro-6-methyl-5-phenylnicotinonitrile?
The molecular formula of 2-Chloro-6-methyl-5-phenylnicotinonitrile is C13H9ClN2.
What is the molecular weight of 2-Chloro-6-methyl-5-phenylnicotinonitrile?
The molecular weight of 2-Chloro-6-methyl-5-phenylnicotinonitrile is 228.05 g/mol.
Where can I buy 2-Chloro-6-methyl-5-phenylnicotinonitrile?
You can request a quote for 2-Chloro-6-methyl-5-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-methyl-5-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-methyl-5-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.