5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
TL;DR: 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid (CAS 886360-92-5) is a chemical compound with molecular formula C13H9BrFNO3 and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
Also Known As: 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid, 5-bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 5-bromo-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid, bromofluorobenzyloxodihydropyridinecarboxylicacid, 7X-0719
| Molecular Formula | C13H9BrFNO3 |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | 2.4964 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.97498 |
| Heavy Atoms | 19 |
| Complexity | 696.52795 |
Chemical Identifiers
| CAS Number | 886360-92-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CN2C=C(C=C(C2=O)C(=O)O)Br |
Product Overview
5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid (CAS 886360-92-5), with molecular formula C13H9BrFNO3 and molecular weight 324.97 g/mol. IUPAC: 5-bromo-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.
Chemical Property Profile of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
Property Insights of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
The XLogP value of 2.4964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid has 1 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-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The CAS number of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid is 886360-92-5.
What is the molecular formula of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The molecular formula of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid is C13H9BrFNO3.
What is the molecular weight of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The molecular weight of 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid is 324.97 g/mol.
Where can I buy 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
You can request a quote for 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic 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-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-(3-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.