4-Fluoropyridin-2(1H)-one
TL;DR: 4-Fluoropyridin-2(1H)-one (CAS 96530-75-5) is a chemical compound with molecular formula C5H4FNO and molecular weight 113.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-1H-pyridin-2-one
Also Known As: 4-Fluoropyridin-2-ol, 4-Fluoropyridin-2(1H)-one, 2-hydroxy-4-fluoropyridine, 4-fluoro-1H-pyridin-2-one, 4-fluoro-2-hydroxypyridine
| Molecular Formula | C5H4FNO |
|---|---|
| Molecular Weight | 113.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.027695 |
| Heavy Atoms | 8 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 96530-75-5 |
|---|---|
| SMILES | C1=CNC(=O)C=C1F |
| InChIKey | XSRUCRGHYLPMHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoropyridin-2(1H)-one (CAS 96530-75-5), with molecular formula C5H4FNO and molecular weight 113.03 g/mol. IUPAC: 4-fluoro-1H-pyridin-2-one.
Chemical Property Profile of 4-Fluoropyridin-2(1H)-one
Property Insights of 4-Fluoropyridin-2(1H)-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoropyridin-2(1H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Fluoropyridin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoropyridin-2(1H)-one 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 4-Fluoropyridin-2(1H)-one?
The CAS number of 4-Fluoropyridin-2(1H)-one is 96530-75-5.
What is the molecular formula of 4-Fluoropyridin-2(1H)-one?
The molecular formula of 4-Fluoropyridin-2(1H)-one is C5H4FNO.
What is the molecular weight of 4-Fluoropyridin-2(1H)-one?
The molecular weight of 4-Fluoropyridin-2(1H)-one is 113.03 g/mol.
Where can I buy 4-Fluoropyridin-2(1H)-one?
You can request a quote for 4-Fluoropyridin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoropyridin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoropyridin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.