2-Methyl-5-nitropyridine-3-carboxylic acid
TL;DR: 2-Methyl-5-nitropyridine-3-carboxylic acid (CAS 71845-20-0) 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.
2-methyl-5-nitropyridine-3-carboxylic acid
Also Known As: 2-methyl-5-nitronicotinic acid, 2-Methyl-5-nitro-3-pyridinecarboxylic acid, 5-Fluorouracil, 2-methyl-5-nitropyridine-3-carboxylic acid, 1-2 weeks
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 71845-20-0 |
|---|---|
| SMILES | CC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)O |
| InChIKey | QGKUVJPQLXSHQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-nitropyridine-3-carboxylic acid (CAS 71845-20-0), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: 2-methyl-5-nitropyridine-3-carboxylic acid.
Chemical Property Profile of 2-Methyl-5-nitropyridine-3-carboxylic acid
Property Insights of 2-Methyl-5-nitropyridine-3-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitropyridine-3-carboxylic acid. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitropyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-5-nitropyridine-3-carboxylic acid has 1 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 2-Methyl-5-nitropyridine-3-carboxylic acid?
The CAS number of 2-Methyl-5-nitropyridine-3-carboxylic acid is 71845-20-0.
What is the molecular formula of 2-Methyl-5-nitropyridine-3-carboxylic acid?
The molecular formula of 2-Methyl-5-nitropyridine-3-carboxylic acid is C7H6N2O4.
What is the molecular weight of 2-Methyl-5-nitropyridine-3-carboxylic acid?
The molecular weight of 2-Methyl-5-nitropyridine-3-carboxylic acid is 182.03 g/mol.
Where can I buy 2-Methyl-5-nitropyridine-3-carboxylic acid?
You can request a quote for 2-Methyl-5-nitropyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-nitropyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitropyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.