2-Fluoro-6-iodobenzonitrile
TL;DR: 2-Fluoro-6-iodobenzonitrile (CAS 79544-29-9) 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-6-iodobenzonitrile
Also Known As: 2-Fluoro-6-iodobenzonitrile, 2-iodo-6-fluorobenzonitrile, 2-fluoro-6-iodo-benzonitrile, 2-(4-methoxybenzyl)phenol, PHARMABRIDGE P-2313
| Molecular Formula | C7H3FIN |
|---|---|
| Molecular Weight | 246.93 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.92941 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 79544-29-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)I)C#N)F |
| InChIKey | FAACTMVXBNSPJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-6-iodobenzonitrile (CAS 79544-29-9), with molecular formula C7H3FIN and molecular weight 246.93 g/mol. IUPAC: 2-fluoro-6-iodobenzonitrile.
Chemical Property Profile of 2-Fluoro-6-iodobenzonitrile
Property Insights of 2-Fluoro-6-iodobenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-6-iodobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Fluoro-6-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-iodobenzonitrile 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-Fluoro-6-iodobenzonitrile?
The CAS number of 2-Fluoro-6-iodobenzonitrile is 79544-29-9.
What is the molecular formula of 2-Fluoro-6-iodobenzonitrile?
The molecular formula of 2-Fluoro-6-iodobenzonitrile is C7H3FIN.
What is the molecular weight of 2-Fluoro-6-iodobenzonitrile?
The molecular weight of 2-Fluoro-6-iodobenzonitrile is 246.93 g/mol.
Where can I buy 2-Fluoro-6-iodobenzonitrile?
You can request a quote for 2-Fluoro-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-Fluoro-6-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-6-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.