1-(Cyanomethyl)pyridinium
TL;DR: 1-(Cyanomethyl)pyridinium (CAS 105688-31-1) is a chemical compound with molecular formula C7H7N2+ and molecular weight 119.06092 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyridin-1-ium-1-ylacetonitrile
Also Known As: 1-(cyanomethyl)pyridinium, (Pyridinio)acetonitrile, 1-Cyanomethylpyridinium, 1-(Cyanomethyl)pyridin-1-ium, 2-pyridin-1-ium-1-ylacetonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7N2+ |
| Molecular Weight | 119.06092 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.06092 Da |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
| SMILES | C1=CC=[N+](C=C1)CC#N |
| InChIKey | PBIZDZQRODMMPZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Cyanomethyl)pyridinium
Property Insights of 1-(Cyanomethyl)pyridinium
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Cyanomethyl)pyridinium. With a topological polar surface area (TPSA) of 27.7 Ų, 1-(Cyanomethyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Cyanomethyl)pyridinium 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 1-(Cyanomethyl)pyridinium?
The CAS number of 1-(Cyanomethyl)pyridinium is 105688-31-1.
What is the molecular formula of 1-(Cyanomethyl)pyridinium?
The molecular formula of 1-(Cyanomethyl)pyridinium is C7H7N2+.
What is the molecular weight of 1-(Cyanomethyl)pyridinium?
The molecular weight of 1-(Cyanomethyl)pyridinium is 119.06092 g/mol.
Where can I buy 1-(Cyanomethyl)pyridinium?
You can request a quote for 1-(Cyanomethyl)pyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Cyanomethyl)pyridinium?
Yes, CoreyChem provides custom synthesis services for 1-(Cyanomethyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.