3-Nitropyridine 1-oxide
TL;DR: 3-Nitropyridine 1-oxide (CAS 2403-01-2) is a chemical compound with molecular formula C5H4N2O3 and molecular weight 140.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-1-oxidopyridin-1-ium
Also Known As: 3-Nitropyridine 1-oxide, 3-nitropyridine N-oxide, 3-Nitropyridine-N-oxide, Pyridine, 3-nitro-, 1-oxide, pyridine 1-oxide, 3-nitro-
| Molecular Formula | C5H4N2O3 |
|---|---|
| Molecular Weight | 140.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.02219 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 2403-01-2 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])[N+](=O)[O-] |
| InChIKey | NJHMJTZPDXWLCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitropyridine 1-oxide (CAS 2403-01-2), with molecular formula C5H4N2O3 and molecular weight 140.02 g/mol. IUPAC: 3-nitro-1-oxidopyridin-1-ium.
Chemical Property Profile of 3-Nitropyridine 1-oxide
Property Insights of 3-Nitropyridine 1-oxide
The XLogP value of -0.4 indicates that 3-Nitropyridine 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitropyridine 1-oxide. Following Lipinski's Rule of Five, 3-Nitropyridine 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 3-Nitropyridine 1-oxide?
The CAS number of 3-Nitropyridine 1-oxide is 2403-01-2.
What is the molecular formula of 3-Nitropyridine 1-oxide?
The molecular formula of 3-Nitropyridine 1-oxide is C5H4N2O3.
What is the molecular weight of 3-Nitropyridine 1-oxide?
The molecular weight of 3-Nitropyridine 1-oxide is 140.02 g/mol.
Where can I buy 3-Nitropyridine 1-oxide?
You can request a quote for 3-Nitropyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitropyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitropyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.