2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate
TL;DR: 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate (CAS 125867-25-6) is a chemical compound with molecular formula C11H13N2O3- and molecular weight 221.09262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
Also Known As: 2-(2,2-Dimethyl-propionylamino)-nicotinic acid, 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate, E81570
Technical Specifications
| Molecular Formula | C11H13N2O3- |
| Molecular Weight | 221.09262 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09262 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=O)[O-] |
| InChIKey | KXLOGMIKCNUSNG-UHFFFAOYSA-M |
Chemical Property Profile of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate
Property Insights of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate 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
What is the CAS number of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate?
The CAS number of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate is 125867-25-6.
What is the molecular formula of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate?
The molecular formula of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate is C11H13N2O3-.
What is the molecular weight of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate?
The molecular weight of 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate is 221.09262 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate?
You can request a quote for 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-Dimethylpropanoylamino)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.