5-溴烟酸
TL;DR: 5-溴烟酸 (CAS 20826-04-4) 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.
5-溴烟酸
5-bromopyridine-3-carboxylic acid
Also Known As: 5-Bromonicotinic acid, 5-Bromopyridine-3-carboxylic acid, 5-Bromo Nicotinic Acid, 3-Pyridinecarboxylic acid, 5-bromo-, 5-Bromo-3-pyridinecarboxylic acid
| Molecular Formula | C6H4BrNO2 |
|---|---|
| Molecular Weight | 200.94 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.94254 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 20826-04-4 |
|---|---|
| SMILES | C1=C(C=NC=C1Br)C(=O)O |
| InChIKey | FQIUCPGDKPXSLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴烟酸 (CAS 20826-04-4), with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol. IUPAC: 5-bromopyridine-3-carboxylic acid.
Chemical Property Profile of 5-溴烟酸
Property Insights of 5-溴烟酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴烟酸. With a topological polar surface area (TPSA) of 50.2 Ų, 5-溴烟酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-溴烟酸 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
Frequently Asked Questions
What is the CAS number of 5-溴烟酸?
The CAS number of 5-溴烟酸 is 20826-04-4.
What is the molecular formula of 5-溴烟酸?
The molecular formula of 5-溴烟酸 is C6H4BrNO2.
What is the molecular weight of 5-溴烟酸?
The molecular weight of 5-溴烟酸 is 200.94 g/mol.
Where can I buy 5-溴烟酸?
You can request a quote for 5-溴烟酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴烟酸?
Yes, KEHONG BIO provides custom synthesis services for 5-溴烟酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.