4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester
TL;DR: 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester (CAS 105777-88-6) is a chemical compound with molecular formula C7H6ClNO3 and molecular weight 187.00362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-chloro-6-oxo-1H-pyridine-4-carboxylate
Also Known As: Methyl 2-Chloro-6-hydroxyisonicotinate, METHYL 2-CHLORO-6-HYDROXYPYRIDINE-4-CARBOXYLATE, methyl 2-chloro-6-oxo-1H-pyridine-4-carboxylate, 4-pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester, methyl 6-chloro-2-oxo-1,2-dihydropyridine-4-carboxylate
Technical Specifications
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.00362 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.00362 Da |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
| SMILES | COC(=O)C1=CC(=O)NC(=C1)Cl |
| InChIKey | PCBFRIARRJKZPM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester
Property Insights of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester 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
What is the CAS number of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester?
The CAS number of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester is 105777-88-6.
What is the molecular formula of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester?
The molecular formula of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester is C7H6ClNO3.
What is the molecular weight of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester?
The molecular weight of 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester is 187.00362 g/mol.
Where can I buy 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester?
You can request a quote for 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Pyridinecarboxylic acid, 2-chloro-6-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.