2-Iodophenylacetonitrile
TL;DR: 2-Iodophenylacetonitrile (CAS 130723-54-5) is a chemical compound with molecular formula C8H6IN and molecular weight 242.9545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-iodophenyl)acetonitrile
Also Known As: 2-Iodophenylacetonitrile, 2-(2-iodophenyl)acetonitrile, 2-Iodobenzyl cyanide, 2-Iodobenzeneacetonitrile, o-Iodobenzyl cyanide
Technical Specifications
| Molecular Formula | C8H6IN |
| Molecular Weight | 242.9545 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.9545 Da |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
| SMILES | C1=CC=C(C(=C1)CC#N)I |
| InChIKey | FPSGTRJUQLYLHE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Iodophenylacetonitrile
Property Insights of 2-Iodophenylacetonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodophenylacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Iodophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodophenylacetonitrile 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
What is the CAS number of 2-Iodophenylacetonitrile?
The CAS number of 2-Iodophenylacetonitrile is 130723-54-5.
What is the molecular formula of 2-Iodophenylacetonitrile?
The molecular formula of 2-Iodophenylacetonitrile is C8H6IN.
What is the molecular weight of 2-Iodophenylacetonitrile?
The molecular weight of 2-Iodophenylacetonitrile is 242.9545 g/mol.
Where can I buy 2-Iodophenylacetonitrile?
You can request a quote for 2-Iodophenylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Iodophenylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Iodophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.