2-Methoxy-5-nitropyridine 1-oxide
TL;DR: 2-Methoxy-5-nitropyridine 1-oxide (CAS 96530-77-7) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-nitro-1-oxidopyridin-1-ium
Also Known As: 2-Methoxy-5-nitropyridine 1-oxide, 2-methoxy-5-nitropyridinium-1-olate, 2-methoxy-5-nitropyridin-1-ium-1-olate, 2-methoxy-5-nitropyridine N-oxide, 2-methoxy-5-nitro-1-oxidopyridin-1-ium
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.2368 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 312.41644 |
Chemical Identifiers
| CAS Number | 96530-77-7 |
|---|---|
| SMILES | COC1=[N+](C=C(C=C1)[N+](=O)[O-])[O-] |
Product Overview
2-Methoxy-5-nitropyridine 1-oxide (CAS 96530-77-7), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 2-methoxy-5-nitro-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-Methoxy-5-nitropyridine 1-oxide
Property Insights of 2-Methoxy-5-nitropyridine 1-oxide
The XLogP value of 0.2368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-5-nitropyridine 1-oxide. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-5-nitropyridine 1-oxide. Following Lipinski's Rule of Five, 2-Methoxy-5-nitropyridine 1-oxide has 0 hydrogen bond donor(s) and 4 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-Methoxy-5-nitropyridine 1-oxide?
The CAS number of 2-Methoxy-5-nitropyridine 1-oxide is 96530-77-7.
What is the molecular formula of 2-Methoxy-5-nitropyridine 1-oxide?
The molecular formula of 2-Methoxy-5-nitropyridine 1-oxide is C6H6N2O4.
What is the molecular weight of 2-Methoxy-5-nitropyridine 1-oxide?
The molecular weight of 2-Methoxy-5-nitropyridine 1-oxide is 170.03 g/mol.
Where can I buy 2-Methoxy-5-nitropyridine 1-oxide?
You can request a quote for 2-Methoxy-5-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 2-Methoxy-5-nitropyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5-nitropyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.