3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester
TL;DR: 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester (CAS 117517-54-1) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-carbamoylpyridine-3-carboxylate
Also Known As: Methyl 6-carbamoylnicotinate, methyl 6-carbamoylpyridine-3-carboxylate, ethyl6-carbamoylnicotinate, 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester, Methyl4-chloro-4,4-difluoroacetoacetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.0535 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0535 Da |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
| SMILES | COC(=O)C1=CN=C(C=C1)C(=O)N |
| InChIKey | XIWOJXMQJJGUDQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester
Property Insights of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester
The XLogP value of -0.1 indicates that 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl 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
What is the CAS number of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester is 117517-54-1.
What is the molecular formula of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester is C8H8N2O3.
What is the molecular weight of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester is 180.0535 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.