Methyl 4-nitropyridine-2-carboxylate
TL;DR: Methyl 4-nitropyridine-2-carboxylate (CAS 29681-41-2) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitropyridine-2-carboxylate
Also Known As: Methyl 4-nitropicolinate, Methyl 4-nitropyridine-2-carboxylate, 4-NITRO-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER, CHEMPACIFIC 38132, Methyl 4-nitro-2-pyridinecarboxylate
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 0.7764 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 350.1007 |
Chemical Identifiers
| CAS Number | 29681-41-2 |
|---|---|
| SMILES | COC(=O)C1=NC=CC(=C1)[N+](=O)[O-] |
Product Overview
Methyl 4-nitropyridine-2-carboxylate (CAS 29681-41-2), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: methyl 4-nitropyridine-2-carboxylate.
Chemical Property Profile of Methyl 4-nitropyridine-2-carboxylate
Property Insights of Methyl 4-nitropyridine-2-carboxylate
The XLogP value of 0.7764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitropyridine-2-carboxylate. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-nitropyridine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-nitropyridine-2-carboxylate 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 Methyl 4-nitropyridine-2-carboxylate?
The CAS number of Methyl 4-nitropyridine-2-carboxylate is 29681-41-2.
What is the molecular formula of Methyl 4-nitropyridine-2-carboxylate?
The molecular formula of Methyl 4-nitropyridine-2-carboxylate is C7H6N2O4.
What is the molecular weight of Methyl 4-nitropyridine-2-carboxylate?
The molecular weight of Methyl 4-nitropyridine-2-carboxylate is 182.03 g/mol.
Where can I buy Methyl 4-nitropyridine-2-carboxylate?
You can request a quote for Methyl 4-nitropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.