2-Cyano-N-methylpyridinium
TL;DR: 2-Cyano-N-methylpyridinium (CAS 4415-72-9) is a chemical compound with molecular formula C7H7N2+ and molecular weight 119.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyridin-1-ium-2-carbonitrile
Also Known As: 2-Cyano-N-methylpyridinium, 2-cyano-1-methylpyridinium, N-Methyl-2-cyanopyridinium, Pyridinium, 2-cyano-1-methyl-, 2-Cyano-N-methylpyridinium ion
| Molecular Formula | C7H7N2+ |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.06092 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 4415-72-9 |
|---|---|
| SMILES | C[N+]1=CC=CC=C1C#N |
| InChIKey | QCKQICVQNDDMCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-N-methylpyridinium (CAS 4415-72-9), with molecular formula C7H7N2+ and molecular weight 119.06 g/mol. IUPAC: 1-methylpyridin-1-ium-2-carbonitrile.
Chemical Property Profile of 2-Cyano-N-methylpyridinium
Property Insights of 2-Cyano-N-methylpyridinium
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-methylpyridinium. With a topological polar surface area (TPSA) of 27.7 Ų, 2-Cyano-N-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-N-methylpyridinium 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
Frequently Asked Questions
What is the CAS number of 2-Cyano-N-methylpyridinium?
The CAS number of 2-Cyano-N-methylpyridinium is 4415-72-9.
What is the molecular formula of 2-Cyano-N-methylpyridinium?
The molecular formula of 2-Cyano-N-methylpyridinium is C7H7N2+.
What is the molecular weight of 2-Cyano-N-methylpyridinium?
The molecular weight of 2-Cyano-N-methylpyridinium is 119.06 g/mol.
Where can I buy 2-Cyano-N-methylpyridinium?
You can request a quote for 2-Cyano-N-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-N-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.