3-Pyridinecarboxylic acid, 2-hydroxyethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester (CAS 3612-80-4) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl pyridine-3-carboxylate
Also Known As: Ethiacin, 2-Hydroxyethyl nicotinate, Etofibrate 2-hydroxymethylnicotinate, 2-hydroxyethyl pyridine-3-carboxylate, EOHMN
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 3612-80-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCO |
| InChIKey | OMMRNSLAFWRKOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarboxylic acid, 2-hydroxyethyl ester (CAS 3612-80-4), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 2-hydroxyethyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester. With a topological polar surface area (TPSA) of 59.4 Ų, 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester 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 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester is 3612-80-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester is C8H9NO3.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester is 167.06 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.