Pyridine-2-carboxylic acid 1-oxide
TL;DR: Pyridine-2-carboxylic acid 1-oxide (CAS 824-40-8) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidopyridin-1-ium-2-carboxylic acid
Also Known As: Picolinic acid N-oxide, Picolinic acid 1-oxide, picolinate n-oxide, 2-carboxypyridin-1-ium-1-olate, 1-Oxopicolinic acid
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 824-40-8 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)C(=O)O)[O-] |
| InChIKey | FHYMLBVGNFVFBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine-2-carboxylic acid 1-oxide (CAS 824-40-8), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 1-oxidopyridin-1-ium-2-carboxylic acid.
Chemical Property Profile of Pyridine-2-carboxylic acid 1-oxide
Property Insights of Pyridine-2-carboxylic acid 1-oxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine-2-carboxylic acid 1-oxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine-2-carboxylic acid 1-oxide. Following Lipinski's Rule of Five, Pyridine-2-carboxylic acid 1-oxide has 1 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 Pyridine-2-carboxylic acid 1-oxide?
The CAS number of Pyridine-2-carboxylic acid 1-oxide is 824-40-8.
What is the molecular formula of Pyridine-2-carboxylic acid 1-oxide?
The molecular formula of Pyridine-2-carboxylic acid 1-oxide is C6H5NO3.
What is the molecular weight of Pyridine-2-carboxylic acid 1-oxide?
The molecular weight of Pyridine-2-carboxylic acid 1-oxide is 139.03 g/mol.
Where can I buy Pyridine-2-carboxylic acid 1-oxide?
You can request a quote for Pyridine-2-carboxylic acid 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine-2-carboxylic acid 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridine-2-carboxylic acid 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.