3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester (CAS 65321-36-0) 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.
tert-butyl pyridine-3-carboxylate
Also Known As: Tert-butyl Pyridine-3-carboxylate, tert-butyl nicotinate, tert-butylnicotinate, nicotinic acid tert-butyl ester, pyridine-3-carboxylic acid tert-butyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 65321-36-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CN=CC=C1 |
| InChIKey | JYEVUDXCQHLXNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester (CAS 65321-36-0), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: tert-butyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester has 0 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 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester is 65321-36-0.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester is C10H13NO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester is 179.09 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,1-dimethylethyl 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, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.