Pyridinium, 4-cyano-1-methyl-
TL;DR: Pyridinium, 4-cyano-1-methyl- (CAS 13441-45-7) 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-4-carbonitrile
Also Known As: Pyridinium, 4-cyano-1-methyl-, 1-Methyl-4-cyanopyridinium, 4-Cyano-1-methylpyridinium, 1-methylpyridine-4-carbonitrile, 4-cyano-N-methylpyridine cation
| Molecular Formula | C7H7N2+ |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 0.2 |
| 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 | 125.0 |
Chemical Identifiers
| CAS Number | 13441-45-7 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C#N |
| InChIKey | NQQUGKKTJLAUHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 4-cyano-1-methyl- (CAS 13441-45-7), with molecular formula C7H7N2+ and molecular weight 119.06 g/mol. IUPAC: 1-methylpyridin-1-ium-4-carbonitrile.
Chemical Property Profile of Pyridinium, 4-cyano-1-methyl-
Property Insights of Pyridinium, 4-cyano-1-methyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 4-cyano-1-methyl-. With a topological polar surface area (TPSA) of 27.7 Ų, Pyridinium, 4-cyano-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 4-cyano-1-methyl- 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 Pyridinium, 4-cyano-1-methyl-?
The CAS number of Pyridinium, 4-cyano-1-methyl- is 13441-45-7.
What is the molecular formula of Pyridinium, 4-cyano-1-methyl-?
The molecular formula of Pyridinium, 4-cyano-1-methyl- is C7H7N2+.
What is the molecular weight of Pyridinium, 4-cyano-1-methyl-?
The molecular weight of Pyridinium, 4-cyano-1-methyl- is 119.06 g/mol.
Where can I buy Pyridinium, 4-cyano-1-methyl-?
You can request a quote for Pyridinium, 4-cyano-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 4-cyano-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 4-cyano-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.