2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile
TL;DR: 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile (CAS 31776-83-7) is a chemical compound with molecular formula C12H6ClFN2 and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile
Also Known As: 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile, 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile, 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine, 2-chloro-6-(4-fluoro-phenyl)-nicotinonitrile, (3,4-Dimethoxyphenyl)acetaldehyde
| Molecular Formula | C12H6ClFN2 |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 3.41278 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.02036 |
| Heavy Atoms | 16 |
| Complexity | 558.22174 |
Chemical Identifiers
| CAS Number | 31776-83-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)F |
Product Overview
2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile (CAS 31776-83-7), with molecular formula C12H6ClFN2 and molecular weight 232.02 g/mol. IUPAC: 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile
Property Insights of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile
The XLogP value of 3.41278 indicates that 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile 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-(4-Fluorophenyl)Nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile 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-(4-Fluorophenyl)Nicotinonitrile?
The CAS number of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile is 31776-83-7.
What is the molecular formula of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile?
The molecular formula of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile is C12H6ClFN2.
What is the molecular weight of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile?
The molecular weight of 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile is 232.02 g/mol.
Where can I buy 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile?
You can request a quote for 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile 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-(4-Fluorophenyl)Nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(4-Fluorophenyl)Nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.