3-fluoro-1H-pyridin-2-one

C5H4FNO — CID 2783363

IUPAC3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cccc1F
InChIInChI=1S/C5H4FNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKeyCISUDJRBCKKAGX-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.51
Rot. Bonds

About 3-fluoro-1H-pyridin-2-one

3-fluoro-1H-pyridin-2-one (PubChem CID 2783363) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1H-pyridin-2-one
PubChem CID2783363
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cccc1F
InChIInChI=1S/C5H4FNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKeyCISUDJRBCKKAGX-UHFFFAOYSA-N
XLogP0.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-1H-pyridin-2-one (CID 2783363) is 3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-1H-pyridin-2-one is O=c1[nH]cccc1F.
What is the InChIKey of 3-fluoro-1H-pyridin-2-one?
The InChIKey is CISUDJRBCKKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8).
What are the key properties of 3-fluoro-1H-pyridin-2-one?
3-fluoro-1H-pyridin-2-one has a molecular weight of 113.09 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 2783363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).