6-fluoro-1H-pyridin-2-one

C5H4FNO — CID 2762887

IUPAC6-fluoro-1H-pyridin-2-one
SMILESO=c1cccc(F)[nH]1
InChIInChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKeyAJRUXHIEYSYRQJ-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.51
Rot. Bonds

About 6-fluoro-1H-pyridin-2-one

6-fluoro-1H-pyridin-2-one (PubChem CID 2762887) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1H-pyridin-2-one
PubChem CID2762887
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name6-fluoro-1H-pyridin-2-one
SMILESO=c1cccc(F)[nH]1
InChIInChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKeyAJRUXHIEYSYRQJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-1H-pyridin-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 6-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-fluoro-1H-pyridin-2-one (CID 2762887) is 6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-fluoro-1H-pyridin-2-one is O=c1cccc(F)[nH]1.
What is the InChIKey of 6-fluoro-1H-pyridin-2-one?
The InChIKey is AJRUXHIEYSYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8).
What are the key properties of 6-fluoro-1H-pyridin-2-one?
6-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 6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 2762887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).