2-Tert-butylpyridine-4-carboxylic acid
TL;DR: 2-Tert-butylpyridine-4-carboxylic acid (CAS 91940-84-0) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylpyridine-4-carboxylic acid
Also Known As: 2-(tert-Butyl)isonicotinic acid, 2-tert-butylpyridine-4-carboxylic Acid, 2-tert-butyl-isonicotinic acid, 2-tert-Butylisonicotinic acid, 2-(tert-Butyl)isonicotinicacid
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 91940-84-0 |
|---|---|
| SMILES | CC(C)(C)C1=NC=CC(=C1)C(=O)O |
| InChIKey | ZVXZKPSVWZIJNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Tert-butylpyridine-4-carboxylic acid (CAS 91940-84-0), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 2-tert-butylpyridine-4-carboxylic acid.
Chemical Property Profile of 2-Tert-butylpyridine-4-carboxylic acid
Property Insights of 2-Tert-butylpyridine-4-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butylpyridine-4-carboxylic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Tert-butylpyridine-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butylpyridine-4-carboxylic 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-Tert-butylpyridine-4-carboxylic acid?
The CAS number of 2-Tert-butylpyridine-4-carboxylic acid is 91940-84-0.
What is the molecular formula of 2-Tert-butylpyridine-4-carboxylic acid?
The molecular formula of 2-Tert-butylpyridine-4-carboxylic acid is C10H13NO2.
What is the molecular weight of 2-Tert-butylpyridine-4-carboxylic acid?
The molecular weight of 2-Tert-butylpyridine-4-carboxylic acid is 179.09 g/mol.
Where can I buy 2-Tert-butylpyridine-4-carboxylic acid?
You can request a quote for 2-Tert-butylpyridine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butylpyridine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butylpyridine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.