4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid
TL;DR: 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid (CAS 1074-93-7) is a chemical compound with molecular formula C6H4ClNO3 and molecular weight 172.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-oxidopyridin-1-ium-3-carboxylic acid
Also Known As: 4-chloro-1-oxy-nicotinic acid, 4-chloro-3-pyridinecarboxylic acid N-oxide, 4-chloro-1-oxidopyridin-1-ium-3-carboxylic acid, 3-Pyridinecarboxylicacid, 4-chloro-, 1-oxide, 3-Pyridinecarboxylic acid, N-oxide, 4-chloro-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4ClNO3 |
| Molecular Weight | 172.98798 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.98798 Da |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
| SMILES | C1=C[N+](=CC(=C1Cl)C(=O)O)[O-] |
| InChIKey | MKPSHFOVHWEBJY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid
Property Insights of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Chloro-1-oxo-1lambda~5~-pyridine-3-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
What is the CAS number of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid?
The CAS number of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid is 1074-93-7.
What is the molecular formula of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid?
The molecular formula of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid is C6H4ClNO3.
What is the molecular weight of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid?
The molecular weight of 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid is 172.98798 g/mol.
Where can I buy 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid?
You can request a quote for 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.