5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid
TL;DR: 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid (CAS 41668-13-7) is a chemical compound with molecular formula C6H4BrNO3 and molecular weight 216.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 5-bromo-6-hydroxynicotinic acid, null, zlchem 1121, 5-bromo-6-hydroxynicotinicacid, 5-bromo-6-oxo-1H-pyridine-3-carboxylic Acid
| Molecular Formula | C6H4BrNO3 |
|---|---|
| Molecular Weight | 216.94 g/mol |
| LogP | 0.8356 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.93745 |
| Heavy Atoms | 11 |
| Complexity | 343.92578 |
Chemical Identifiers
| CAS Number | 41668-13-7 |
|---|---|
| SMILES | C1=C(C(=O)NC=C1C(=O)O)Br |
Product Overview
5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid (CAS 41668-13-7), with molecular formula C6H4BrNO3 and molecular weight 216.94 g/mol. IUPAC: 5-bromo-6-oxo-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Property Insights of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid
The XLogP value of 0.8356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid?
The CAS number of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid is 41668-13-7.
What is the molecular formula of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid?
The molecular formula of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid is C6H4BrNO3.
What is the molecular weight of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid?
The molecular weight of 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid is 216.94 g/mol.
Where can I buy 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid?
You can request a quote for 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.