2-氟烟酸
TL;DR: 2-氟烟酸 (CAS 393-55-5) 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.
2-氟烟酸
2-fluoropyridine-3-carboxylic acid
Also Known As: 2-Fluoronicotinic acid, 2-Fluoropyridine-3-carboxylic acid, 2-Fluoro-3-pyridinecarboxylic acid, 2-Fluoronicotinicacid, 2-Fluoro-nicotinic acid
| Molecular Formula | C6H4FNO2 |
|---|---|
| Molecular Weight | 141.02 g/mol |
| LogP | 0.8 |
| 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 | 393-55-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)F)C(=O)O |
| InChIKey | LLLVHTWJGWNRBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氟烟酸 (CAS 393-55-5), with molecular formula C6H4FNO2 and molecular weight 141.02 g/mol. IUPAC: 2-fluoropyridine-3-carboxylic acid.
Chemical Property Profile of 2-氟烟酸
Property Insights of 2-氟烟酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氟烟酸. With a topological polar surface area (TPSA) of 50.2 Ų, 2-氟烟酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氟烟酸 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 2-氟烟酸?
The CAS number of 2-氟烟酸 is 393-55-5.
What is the molecular formula of 2-氟烟酸?
The molecular formula of 2-氟烟酸 is C6H4FNO2.
What is the molecular weight of 2-氟烟酸?
The molecular weight of 2-氟烟酸 is 141.02 g/mol.
Where can I buy 2-氟烟酸?
You can request a quote for 2-氟烟酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氟烟酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氟烟酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.