3-Bromoisonicotinic acid
TL;DR: 3-Bromoisonicotinic acid (CAS 28229-69-8) is a chemical compound with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromopyridine-4-carboxylic acid
Also Known As: 3-bromoisonicotinic acid, 3-bromopyridine-4-carboxylic acid, 3-Bromo-4-pyridinecarboxylic acid, 3-Bromo-isonicotinic acid, VITAMIN E
| Molecular Formula | C6H4BrNO2 |
|---|---|
| Molecular Weight | 200.94 g/mol |
| LogP | 1.5423 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.94254 |
| Heavy Atoms | 10 |
| Complexity | 261.67966 |
Chemical Identifiers
| CAS Number | 28229-69-8 |
|---|---|
| SMILES | C1=CN=CC(=C1C(=O)O)Br |
Product Overview
3-Bromoisonicotinic acid (CAS 28229-69-8), with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol. IUPAC: 3-bromopyridine-4-carboxylic acid.
Chemical Property Profile of 3-Bromoisonicotinic acid
Property Insights of 3-Bromoisonicotinic acid
The XLogP value of 1.5423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromoisonicotinic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Bromoisonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromoisonicotinic 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 3-Bromoisonicotinic acid?
The CAS number of 3-Bromoisonicotinic acid is 28229-69-8.
What is the molecular formula of 3-Bromoisonicotinic acid?
The molecular formula of 3-Bromoisonicotinic acid is C6H4BrNO2.
What is the molecular weight of 3-Bromoisonicotinic acid?
The molecular weight of 3-Bromoisonicotinic acid is 200.94 g/mol.
Where can I buy 3-Bromoisonicotinic acid?
You can request a quote for 3-Bromoisonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoisonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoisonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.