4-Methylpyridine-3-carbonitrile 1-oxide
TL;DR: 4-Methylpyridine-3-carbonitrile 1-oxide (CAS 92418-41-2) 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-3-carbonitrile
Also Known As: 4-methylpyridine-3-carbonitrile 1-oxide, 3-Cyano-4-methylpyridine 1-oxide, 3-Cyano-4-methylpyridine1-oxide, 3-Pyridinecarbonitrile,4-methyl-, 1-oxide, 4-methyl-1-oxidopyridin-1-ium-3-carbonitrile
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 92418-41-2 |
|---|---|
| SMILES | CC1=C(C=[N+](C=C1)[O-])C#N |
| InChIKey | ZOIFVCGYFHRBIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylpyridine-3-carbonitrile 1-oxide (CAS 92418-41-2), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 4-methyl-1-oxidopyridin-1-ium-3-carbonitrile.
Chemical Property Profile of 4-Methylpyridine-3-carbonitrile 1-oxide
Property Insights of 4-Methylpyridine-3-carbonitrile 1-oxide
The XLogP value of -0.1 indicates that 4-Methylpyridine-3-carbonitrile 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 4-Methylpyridine-3-carbonitrile 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpyridine-3-carbonitrile 1-oxide 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 4-Methylpyridine-3-carbonitrile 1-oxide?
The CAS number of 4-Methylpyridine-3-carbonitrile 1-oxide is 92418-41-2.
What is the molecular formula of 4-Methylpyridine-3-carbonitrile 1-oxide?
The molecular formula of 4-Methylpyridine-3-carbonitrile 1-oxide is C7H6N2O.
What is the molecular weight of 4-Methylpyridine-3-carbonitrile 1-oxide?
The molecular weight of 4-Methylpyridine-3-carbonitrile 1-oxide is 134.05 g/mol.
Where can I buy 4-Methylpyridine-3-carbonitrile 1-oxide?
You can request a quote for 4-Methylpyridine-3-carbonitrile 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpyridine-3-carbonitrile 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpyridine-3-carbonitrile 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.