1-(2-Cyanoethyl)pyridin-1-ium chloride
TL;DR: 1-(2-Cyanoethyl)pyridin-1-ium chloride (CAS 15201-08-8) is a chemical compound with molecular formula C8H9ClN2 and molecular weight 168.04543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-pyridin-1-ium-1-ylpropanenitrile chloride
Also Known As: 1-Cyanoethylpyridinium chloride, 3-Pyridiniumpropionitrile chloride, 1-(2-Cyano-ethyl)-pyridinium, Pyridinium, 1-cyanoethyl-, chloride, 1-(2-Cyanoethyl)pyridin-1-ium chloride
Technical Specifications
| Molecular Formula | C8H9ClN2 |
| Molecular Weight | 168.04543 g/mol |
| XLogP | -2.10822 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04543 Da |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
| SMILES | C1=CC=[N+](C=C1)CCC#N.[Cl-] |
| InChIKey | PTMVUQDUNZWVNR-UHFFFAOYSA-M |
Chemical Property Profile of 1-(2-Cyanoethyl)pyridin-1-ium chloride
Property Insights of 1-(2-Cyanoethyl)pyridin-1-ium chloride
The XLogP value of -2.10822 indicates that 1-(2-Cyanoethyl)pyridin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.7 Ų, 1-(2-Cyanoethyl)pyridin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)pyridin-1-ium chloride 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 1-(2-Cyanoethyl)pyridin-1-ium chloride?
The CAS number of 1-(2-Cyanoethyl)pyridin-1-ium chloride is 15201-08-8.
What is the molecular formula of 1-(2-Cyanoethyl)pyridin-1-ium chloride?
The molecular formula of 1-(2-Cyanoethyl)pyridin-1-ium chloride is C8H9ClN2.
What is the molecular weight of 1-(2-Cyanoethyl)pyridin-1-ium chloride?
The molecular weight of 1-(2-Cyanoethyl)pyridin-1-ium chloride is 168.04543 g/mol.
Where can I buy 1-(2-Cyanoethyl)pyridin-1-ium chloride?
You can request a quote for 1-(2-Cyanoethyl)pyridin-1-ium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Cyanoethyl)pyridin-1-ium chloride?
Yes, CoreyChem provides custom synthesis services for 1-(2-Cyanoethyl)pyridin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.