5-(Ethoxycarbonyl)pyridine-2-carboxylic acid
TL;DR: 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid (CAS 17880-34-1) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxycarbonylpyridine-2-carboxylic acid
Also Known As: 5-(ethoxycarbonyl)pyridine-2-carboxylic acid, 5-Ethoxycarbonylpyridine-2-carboxylic acid, 2,5-Pyridinedicarboxylicacid,5-ethylester, 5-(ethoxycarbonyl)pyridine-2-carboxylicacid, 2,5-Pyridinedicarboxylic acid 5-ethyl ester
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 17880-34-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(C=C1)C(=O)O |
| InChIKey | IADDQXUATKYCTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Ethoxycarbonyl)pyridine-2-carboxylic acid (CAS 17880-34-1), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 5-ethoxycarbonylpyridine-2-carboxylic acid.
Chemical Property Profile of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid
Property Insights of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(Ethoxycarbonyl)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-(Ethoxycarbonyl)pyridine-2-carboxylic acid?
The CAS number of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid is 17880-34-1.
What is the molecular formula of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid?
The molecular formula of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid is C9H9NO4.
What is the molecular weight of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid?
The molecular weight of 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid is 195.05 g/mol.
Where can I buy 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid?
You can request a quote for 5-(Ethoxycarbonyl)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-(Ethoxycarbonyl)pyridine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethoxycarbonyl)pyridine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.