1-fluoropyridin-2-one

C5H4FNO — CID 13061044

IUPAC1-fluoropyridin-2-one
SMILESO=c1ccccn1F
InChIInChI=1S/C5H4FNO/c6-7-4-2-1-3-5(7)8/h1-4H
InChIKeyBANWBNLRSDINSG-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.58
Rot. Bonds

About 1-fluoropyridin-2-one

1-fluoropyridin-2-one (PubChem CID 13061044) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 1-fluoropyridin-2-one.

Molecular Properties

Compound Name1-fluoropyridin-2-one
PubChem CID13061044
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name1-fluoropyridin-2-one
SMILESO=c1ccccn1F
InChIInChI=1S/C5H4FNO/c6-7-4-2-1-3-5(7)8/h1-4H
InChIKeyBANWBNLRSDINSG-UHFFFAOYSA-N
XLogP0.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-fluoropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoropyridin-2-one?
The IUPAC name of 1-fluoropyridin-2-one (CID 13061044) is 1-fluoropyridin-2-one.
What is the SMILES notation for 1-fluoropyridin-2-one?
The canonical SMILES for 1-fluoropyridin-2-one is O=c1ccccn1F.
What is the InChIKey of 1-fluoropyridin-2-one?
The InChIKey is BANWBNLRSDINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-7-4-2-1-3-5(7)8/h1-4H.
What are the key properties of 1-fluoropyridin-2-one?
1-fluoropyridin-2-one has a molecular weight of 113.09 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyridin-2-one is sourced from PubChem (CID 13061044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).