alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
TL;DR: alpha-(4-Chlorophenyl)-2-pyridineacetonitrile (CAS 5005-37-8) is a chemical compound with molecular formula C13H9ClN2 and molecular weight 228.04543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-pyridin-2-ylacetonitrile
Also Known As: 2-(4-chlorophenyl)-2-(pyridin-2-yl)acetonitrile, 2-(4-chlorophenyl)-2-pyridin-2-ylacetonitrile, Chlorphenamine Impurity 21, Chlorphenamine Impurity 42, alpha-(4-Chlorophenyl)pyridine-2-acetonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9ClN2 |
| Molecular Weight | 228.04543 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04543 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | C1=CC=NC(=C1)C(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | TVLXKCIMEBLREH-UHFFFAOYSA-N |
Chemical Property Profile of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
Property Insights of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(4-Chlorophenyl)-2-pyridineacetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, alpha-(4-Chlorophenyl)-2-pyridineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(4-Chlorophenyl)-2-pyridineacetonitrile 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
What is the CAS number of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile?
The CAS number of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile is 5005-37-8.
What is the molecular formula of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile?
The molecular formula of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile is C13H9ClN2.
What is the molecular weight of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile?
The molecular weight of alpha-(4-Chlorophenyl)-2-pyridineacetonitrile is 228.04543 g/mol.
Where can I buy alpha-(4-Chlorophenyl)-2-pyridineacetonitrile?
You can request a quote for alpha-(4-Chlorophenyl)-2-pyridineacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-(4-Chlorophenyl)-2-pyridineacetonitrile?
Yes, CoreyChem provides custom synthesis services for alpha-(4-Chlorophenyl)-2-pyridineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.