2-Fluoro-4-iodobenzonitrile
TL;DR: 2-Fluoro-4-iodobenzonitrile (CAS 137553-42-5) is a chemical compound with molecular formula C7H3FIN and molecular weight 246.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-iodobenzonitrile
Also Known As: 2-fluoro-4-iodobenzonitrile, Benzonitrile, 2-fluoro-4-iodo-, 2-fluoro-4-iodo-benzonitrile, 4-iodo-2-fluorobenzonitrile, Benzonitrile,2-fluoro-4-iodo-
| Molecular Formula | C7H3FIN |
|---|---|
| Molecular Weight | 246.93 g/mol |
| LogP | 2.30198 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.92941 |
| Heavy Atoms | 10 |
| Complexity | 290.14786 |
Chemical Identifiers
| CAS Number | 137553-42-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1I)F)C#N |
Product Overview
2-Fluoro-4-iodobenzonitrile (CAS 137553-42-5), with molecular formula C7H3FIN and molecular weight 246.93 g/mol. IUPAC: 2-fluoro-4-iodobenzonitrile.
Chemical Property Profile of 2-Fluoro-4-iodobenzonitrile
Property Insights of 2-Fluoro-4-iodobenzonitrile
The XLogP value of 2.30198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-iodobenzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Fluoro-4-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-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-Fluoro-4-iodobenzonitrile?
The CAS number of 2-Fluoro-4-iodobenzonitrile is 137553-42-5.
What is the molecular formula of 2-Fluoro-4-iodobenzonitrile?
The molecular formula of 2-Fluoro-4-iodobenzonitrile is C7H3FIN.
What is the molecular weight of 2-Fluoro-4-iodobenzonitrile?
The molecular weight of 2-Fluoro-4-iodobenzonitrile is 246.93 g/mol.
Where can I buy 2-Fluoro-4-iodobenzonitrile?
You can request a quote for 2-Fluoro-4-iodobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.