4-(Methoxycarbonyl)pyridine 1-oxide
TL;DR: 4-(Methoxycarbonyl)pyridine 1-oxide (CAS 175204-85-0) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-oxidopyridin-1-ium-4-carboxylate
Also Known As: Methylisonicotinate-N-oxide, 4-(Methoxycarbonyl)pyridine 1-oxide, Methyl isonicotinate N-oxide, methyl isonicotinate 1-oxide, MethylIsonicotinateN-Oxide
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 175204-85-0 |
|---|---|
| SMILES | COC(=O)C1=CC=[N+](C=C1)[O-] |
| InChIKey | XSGNXRNOZMUURC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methoxycarbonyl)pyridine 1-oxide (CAS 175204-85-0), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: methyl 1-oxidopyridin-1-ium-4-carboxylate.
Chemical Property Profile of 4-(Methoxycarbonyl)pyridine 1-oxide
Property Insights of 4-(Methoxycarbonyl)pyridine 1-oxide
The XLogP value of -0.1 indicates that 4-(Methoxycarbonyl)pyridine 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, 4-(Methoxycarbonyl)pyridine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)pyridine 1-oxide has 0 hydrogen bond donor(s) and 3 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-(Methoxycarbonyl)pyridine 1-oxide?
The CAS number of 4-(Methoxycarbonyl)pyridine 1-oxide is 175204-85-0.
What is the molecular formula of 4-(Methoxycarbonyl)pyridine 1-oxide?
The molecular formula of 4-(Methoxycarbonyl)pyridine 1-oxide is C7H7NO3.
What is the molecular weight of 4-(Methoxycarbonyl)pyridine 1-oxide?
The molecular weight of 4-(Methoxycarbonyl)pyridine 1-oxide is 153.04 g/mol.
Where can I buy 4-(Methoxycarbonyl)pyridine 1-oxide?
You can request a quote for 4-(Methoxycarbonyl)pyridine 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-(Methoxycarbonyl)pyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)pyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.