4-fluoro-3H-pyridin-2-one

C5H4FNO — CID 57263631

IUPAC4-fluoro-3H-pyridin-2-one
SMILESO=C1CC(F)=CC=N1
InChIInChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKeyJAACAMQFODWLIN-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.84
Rot. Bonds

About 4-fluoro-3H-pyridin-2-one

4-fluoro-3H-pyridin-2-one (PubChem CID 57263631) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 4-fluoro-3H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-3H-pyridin-2-one
PubChem CID57263631
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name4-fluoro-3H-pyridin-2-one
SMILESO=C1CC(F)=CC=N1
InChIInChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKeyJAACAMQFODWLIN-UHFFFAOYSA-N
XLogP0.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3H-pyridin-2-one?
The IUPAC name of 4-fluoro-3H-pyridin-2-one (CID 57263631) is 4-fluoro-3H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-3H-pyridin-2-one?
The canonical SMILES for 4-fluoro-3H-pyridin-2-one is O=C1CC(F)=CC=N1.
What is the InChIKey of 4-fluoro-3H-pyridin-2-one?
The InChIKey is JAACAMQFODWLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2.
What are the key properties of 4-fluoro-3H-pyridin-2-one?
4-fluoro-3H-pyridin-2-one has a molecular weight of 113.09 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3H-pyridin-2-one is sourced from PubChem (CID 57263631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).