5-(Methoxycarbonyl)pyridine-2-carboxylic acid
TL;DR: 5-(Methoxycarbonyl)pyridine-2-carboxylic acid (CAS 17874-79-2) 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.
5-methoxycarbonylpyridine-2-carboxylic acid
Also Known As: 5-(Methoxycarbonyl)picolinic acid, 5-(methoxycarbonyl)pyridine-2-carboxylic acid, Coumalic acid, 5-(Methoxycarbonyl)-2-pyridinecarboxylic acid, 5-Methoxycarbonylpyridine-2-carboxylic 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 | 17874-79-2 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)C(=O)O |
| InChIKey | NTCKZTBRFXTYBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Methoxycarbonyl)pyridine-2-carboxylic acid (CAS 17874-79-2), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 5-methoxycarbonylpyridine-2-carboxylic acid.
Chemical Property Profile of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid
Property Insights of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methoxycarbonyl)pyridine-2-carboxylic acid. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methoxycarbonyl)pyridine-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(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 5-(Methoxycarbonyl)pyridine-2-carboxylic acid?
The CAS number of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid is 17874-79-2.
What is the molecular formula of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid?
The molecular formula of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid is C8H7NO4.
What is the molecular weight of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid?
The molecular weight of 5-(Methoxycarbonyl)pyridine-2-carboxylic acid is 181.04 g/mol.
Where can I buy 5-(Methoxycarbonyl)pyridine-2-carboxylic acid?
You can request a quote for 5-(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 5-(Methoxycarbonyl)pyridine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methoxycarbonyl)pyridine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.