2-Chloro-6-iodobenzonitrile
TL;DR: 2-Chloro-6-iodobenzonitrile (CAS 896429-57-5) is a chemical compound with molecular formula C7H3ClIN and molecular weight 262.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-iodobenzonitrile
Also Known As: 2-Chloro-6-iodobenzonitrile, 2-Chloro-6-iodo-benzonitrile, Benzonitrile, 2-chloro-6-iodo-, 6-Iodo-2-chlorobenzonitrile, Benzonitrile,2-chloro-6-iodo-
| Molecular Formula | C7H3ClIN |
|---|---|
| Molecular Weight | 262.90 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.89987 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 896429-57-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)I)C#N)Cl |
| InChIKey | MSYWVDNGKVMKIS-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-iodobenzonitrile (CAS 896429-57-5), with molecular formula C7H3ClIN and molecular weight 262.90 g/mol. IUPAC: 2-chloro-6-iodobenzonitrile.
Chemical Property Profile of 2-Chloro-6-iodobenzonitrile
Property Insights of 2-Chloro-6-iodobenzonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-iodobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Chloro-6-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-iodobenzonitrile has 0 hydrogen bond donor(s) and 1 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-iodobenzonitrile?
The CAS number of 2-Chloro-6-iodobenzonitrile is 896429-57-5.
What is the molecular formula of 2-Chloro-6-iodobenzonitrile?
The molecular formula of 2-Chloro-6-iodobenzonitrile is C7H3ClIN.
What is the molecular weight of 2-Chloro-6-iodobenzonitrile?
The molecular weight of 2-Chloro-6-iodobenzonitrile is 262.90 g/mol.
Where can I buy 2-Chloro-6-iodobenzonitrile?
You can request a quote for 2-Chloro-6-iodobenzonitrile 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-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.