3-(Methoxycarbonyl)pyridine-2-carboxylic acid
TL;DR: 3-(Methoxycarbonyl)pyridine-2-carboxylic acid (CAS 25314-45-8) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxycarbonylpyridine-2-carboxylic acid
Also Known As: 3-(methoxycarbonyl)pyridine-2-carboxylic acid, 3-(methoxycarbonyl)picolinic acid, 3-methoxycarbonylpyridine-2-carboxylic acid, Ethyl 2-carboxypyridine-3-carboxylate, 3-carbomethoxypicolinic acid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 25314-45-8 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)C(=O)O |
| InChIKey | PRENKBUQKMUCHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methoxycarbonyl)pyridine-2-carboxylic acid (CAS 25314-45-8), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 3-methoxycarbonylpyridine-2-carboxylic acid.
Chemical Property Profile of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid
Property Insights of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)pyridine-2-carboxylic acid. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)pyridine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)pyridine-2-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 3-(Methoxycarbonyl)pyridine-2-carboxylic acid?
The CAS number of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid is 25314-45-8.
What is the molecular formula of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid?
The molecular formula of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid is C8H7NO4.
What is the molecular weight of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid?
The molecular weight of 3-(Methoxycarbonyl)pyridine-2-carboxylic acid is 181.04 g/mol.
Where can I buy 3-(Methoxycarbonyl)pyridine-2-carboxylic acid?
You can request a quote for 3-(Methoxycarbonyl)pyridine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)pyridine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)pyridine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.