5-Fluoronicotinic Acid
TL;DR: 5-Fluoronicotinic Acid (CAS 402-66-4) is a chemical compound with molecular formula C6H4FNO2 and molecular weight 141.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoropyridine-3-carboxylic acid
Also Known As: 5-Fluoronicotinic acid, 5-fluoropyridine-3-carboxylic acid, 5-Fluoro-nicotinic acid, null, 5-Fluoro-3-pyridinecarboxylic acid
| Molecular Formula | C6H4FNO2 |
|---|---|
| Molecular Weight | 141.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.02261 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 402-66-4 |
|---|---|
| SMILES | C1=C(C=NC=C1F)C(=O)O |
| InChIKey | BXZSBDDOYIWMGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoronicotinic Acid (CAS 402-66-4), with molecular formula C6H4FNO2 and molecular weight 141.02 g/mol. IUPAC: 5-fluoropyridine-3-carboxylic acid.
Chemical Property Profile of 5-Fluoronicotinic Acid
Property Insights of 5-Fluoronicotinic Acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoronicotinic Acid. With a topological polar surface area (TPSA) of 50.2 Ų, 5-Fluoronicotinic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoronicotinic Acid has 1 hydrogen bond donor(s) and 4 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-Fluoronicotinic Acid?
The CAS number of 5-Fluoronicotinic Acid is 402-66-4.
What is the molecular formula of 5-Fluoronicotinic Acid?
The molecular formula of 5-Fluoronicotinic Acid is C6H4FNO2.
What is the molecular weight of 5-Fluoronicotinic Acid?
The molecular weight of 5-Fluoronicotinic Acid is 141.02 g/mol.
Where can I buy 5-Fluoronicotinic Acid?
You can request a quote for 5-Fluoronicotinic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoronicotinic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoronicotinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.