3-(Methoxycarbonyl)-4-nitropyridine 1-oxide
TL;DR: 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide (CAS 98550-10-8) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitro-1-oxidopyridin-1-ium-3-carboxylate
Also Known As: 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide, 3-(Methoxycarbonyl)-4-nitropyridine1-oxide, methyl 4-nitro-3-pyridinecarboxylate-1-oxide, methyl 4-nitro-1-oxidopyridin-1-ium-3-carboxylate
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 0.0148 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 389.6666 |
Chemical Identifiers
| CAS Number | 98550-10-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C[N+](=C1)[O-])[N+](=O)[O-] |
Product Overview
3-(Methoxycarbonyl)-4-nitropyridine 1-oxide (CAS 98550-10-8), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: methyl 4-nitro-1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide
Property Insights of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide
The XLogP value of 0.0148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide has 0 hydrogen bond donor(s) and 5 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-(Methoxycarbonyl)-4-nitropyridine 1-oxide?
The CAS number of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide is 98550-10-8.
What is the molecular formula of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide?
The molecular formula of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide is C7H6N2O5.
What is the molecular weight of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide?
The molecular weight of 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide is 198.03 g/mol.
Where can I buy 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide?
You can request a quote for 3-(Methoxycarbonyl)-4-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-(Methoxycarbonyl)-4-nitropyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-4-nitropyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.