2-(5-Chloroindol-1-yl)benzonitrile
TL;DR: 2-(5-Chloroindol-1-yl)benzonitrile (CAS 154350-89-7) is a chemical compound with molecular formula C15H9ClN2 and molecular weight 252.04543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-chloroindol-1-yl)benzonitrile
Also Known As: 2-(5-chloroindol-1-yl)benzonitrile, 2-(5-chloro-1h-indol-1-yl)benzonitrile, 1-(2-Cyanophenyl)-5-chloro-1H-indole
Technical Specifications
| Molecular Formula | C15H9ClN2 |
| Molecular Weight | 252.04543 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.04543 Da |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
| SMILES | C1=CC=C(C(=C1)C#N)N2C=CC3=C2C=CC(=C3)Cl |
| InChIKey | KIYUYGTYWDXRKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-Chloroindol-1-yl)benzonitrile
Property Insights of 2-(5-Chloroindol-1-yl)benzonitrile
The XLogP value of 4.0 indicates that 2-(5-Chloroindol-1-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(5-Chloroindol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Chloroindol-1-yl)benzonitrile 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-(5-Chloroindol-1-yl)benzonitrile?
The CAS number of 2-(5-Chloroindol-1-yl)benzonitrile is 154350-89-7.
What is the molecular formula of 2-(5-Chloroindol-1-yl)benzonitrile?
The molecular formula of 2-(5-Chloroindol-1-yl)benzonitrile is C15H9ClN2.
What is the molecular weight of 2-(5-Chloroindol-1-yl)benzonitrile?
The molecular weight of 2-(5-Chloroindol-1-yl)benzonitrile is 252.04543 g/mol.
Where can I buy 2-(5-Chloroindol-1-yl)benzonitrile?
You can request a quote for 2-(5-Chloroindol-1-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-Chloroindol-1-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(5-Chloroindol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.