5-(Ethoxycarbonyl)pyridine-3-carboxylic acid
TL;DR: 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid (CAS 84254-37-5) 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-3-carboxylic acid
Also Known As: 5-(ethoxycarbonyl)nicotinic acid, Pyridine-3,5-dicarboxylic acid monoethyl ester, 5-(Ethoxycarbonyl)nicotinicacid, 5-ethoxycarbonylpyridine-3-carboxylic acid, 5-(ETHOXYCARBONYL)PYRIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.9565 |
| Topological Polar Surface Area | 76.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 361.5845 |
Chemical Identifiers
| CAS Number | 84254-37-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CC(=C1)C(=O)O |
Product Overview
5-(Ethoxycarbonyl)pyridine-3-carboxylic acid (CAS 84254-37-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 5-ethoxycarbonylpyridine-3-carboxylic acid.
Chemical Property Profile of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid
Property Insights of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid
The XLogP value of 0.9565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid. The TPSA of 76.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-3-carboxylic acid?
The CAS number of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid is 84254-37-5.
What is the molecular formula of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid?
The molecular formula of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid is C9H9NO4.
What is the molecular weight of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid?
The molecular weight of 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid is 195.05 g/mol.
Where can I buy 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid?
You can request a quote for 5-(Ethoxycarbonyl)pyridine-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 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethoxycarbonyl)pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.