2-Ethylnicotinic acid
TL;DR: 2-Ethylnicotinic acid (CAS 3421-76-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylpyridine-3-carboxylic acid
Also Known As: 2-ethylnicotinic acid, Ethylnicotinate, 2-ethylpyridine-3-carboxylic acid, 2-Ethylnicotinicacid, Ethyl-nicotinate
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 3421-76-9 |
|---|---|
| SMILES | CCC1=C(C=CC=N1)C(=O)O |
| InChIKey | RESGCFMULOVHHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylnicotinic acid (CAS 3421-76-9), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 2-ethylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-Ethylnicotinic acid
Property Insights of 2-Ethylnicotinic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylnicotinic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Ethylnicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylnicotinic acid has 1 hydrogen bond donor(s) and 3 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 2-Ethylnicotinic acid?
The CAS number of 2-Ethylnicotinic acid is 3421-76-9.
What is the molecular formula of 2-Ethylnicotinic acid?
The molecular formula of 2-Ethylnicotinic acid is C8H9NO2.
What is the molecular weight of 2-Ethylnicotinic acid?
The molecular weight of 2-Ethylnicotinic acid is 151.06 g/mol.
Where can I buy 2-Ethylnicotinic acid?
You can request a quote for 2-Ethylnicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylnicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylnicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.