2-Cyano-4-methylpyridin-1-ium-1-olate
TL;DR: 2-Cyano-4-methylpyridin-1-ium-1-olate (CAS 170487-39-5) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxidopyridin-1-ium-2-carbonitrile
Also Known As: 2-Cyano-4-methylpyridine 1-oxide, starbld0047591, Methyl oxazole-4-carboxylate, 2-Cyano-4-methylpyridin-1-ium-1-olate, 2-cyano-4-methylpyridine-1-oxide
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.5001 |
| Topological Polar Surface Area | 50.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 288.14786 |
Chemical Identifiers
| CAS Number | 170487-39-5 |
|---|---|
| SMILES | CC1=CC(=[N+](C=C1)[O-])C#N |
Product Overview
2-Cyano-4-methylpyridin-1-ium-1-olate (CAS 170487-39-5), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 4-methyl-1-oxidopyridin-1-ium-2-carbonitrile.
Chemical Property Profile of 2-Cyano-4-methylpyridin-1-ium-1-olate
Property Insights of 2-Cyano-4-methylpyridin-1-ium-1-olate
The XLogP value of 0.5001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-4-methylpyridin-1-ium-1-olate. With a topological polar surface area (TPSA) of 50.73 Ų, 2-Cyano-4-methylpyridin-1-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-4-methylpyridin-1-ium-1-olate 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
Frequently Asked Questions
What is the CAS number of 2-Cyano-4-methylpyridin-1-ium-1-olate?
The CAS number of 2-Cyano-4-methylpyridin-1-ium-1-olate is 170487-39-5.
What is the molecular formula of 2-Cyano-4-methylpyridin-1-ium-1-olate?
The molecular formula of 2-Cyano-4-methylpyridin-1-ium-1-olate is C7H6N2O.
What is the molecular weight of 2-Cyano-4-methylpyridin-1-ium-1-olate?
The molecular weight of 2-Cyano-4-methylpyridin-1-ium-1-olate is 134.05 g/mol.
Where can I buy 2-Cyano-4-methylpyridin-1-ium-1-olate?
You can request a quote for 2-Cyano-4-methylpyridin-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-4-methylpyridin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-4-methylpyridin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.