2-(3-Iodophenyl)acetonitrile
TL;DR: 2-(3-Iodophenyl)acetonitrile (CAS 67345-78-2) is a chemical compound with molecular formula C8H6IN and molecular weight 242.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-iodophenyl)acetonitrile
Also Known As: 3-Iodophenylacetonitrile, 2-(3-iodophenyl)acetonitrile, 3-Iodobenzyl cyanide, Benzeneacetonitrile, 3-iodo-, m-iodobenzyl cyanide
| Molecular Formula | C8H6IN |
|---|---|
| Molecular Weight | 242.95 g/mol |
| LogP | 2.35728 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.9545 |
| Heavy Atoms | 10 |
| Complexity | 262.20526 |
Chemical Identifiers
| CAS Number | 67345-78-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)CC#N |
Product Overview
2-(3-Iodophenyl)acetonitrile (CAS 67345-78-2), with molecular formula C8H6IN and molecular weight 242.95 g/mol. IUPAC: 2-(3-iodophenyl)acetonitrile.
Chemical Property Profile of 2-(3-Iodophenyl)acetonitrile
Property Insights of 2-(3-Iodophenyl)acetonitrile
The XLogP value of 2.35728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Iodophenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(3-Iodophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Iodophenyl)acetonitrile 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-(3-Iodophenyl)acetonitrile?
The CAS number of 2-(3-Iodophenyl)acetonitrile is 67345-78-2.
What is the molecular formula of 2-(3-Iodophenyl)acetonitrile?
The molecular formula of 2-(3-Iodophenyl)acetonitrile is C8H6IN.
What is the molecular weight of 2-(3-Iodophenyl)acetonitrile?
The molecular weight of 2-(3-Iodophenyl)acetonitrile is 242.95 g/mol.
Where can I buy 2-(3-Iodophenyl)acetonitrile?
You can request a quote for 2-(3-Iodophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Iodophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Iodophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.