5-fluoro-4-propan-2-yl-1H-pyridin-2-one

C8H10FNO — CID 58333456

IUPAC5-fluoro-4-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(=O)[nH]cc1F
InChIInChI=1S/C8H10FNO/c1-5(2)6-3-8(11)10-4-7(6)9/h3-5H,1-2H3,(H,10,11)
InChIKeySLMFHTCESKEZGB-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.64
Rot. Bonds1

About 5-fluoro-4-propan-2-yl-1H-pyridin-2-one

5-fluoro-4-propan-2-yl-1H-pyridin-2-one (PubChem CID 58333456) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yl-1H-pyridin-2-one
PubChem CID58333456
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name5-fluoro-4-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(=O)[nH]cc1F
InChIInChI=1S/C8H10FNO/c1-5(2)6-3-8(11)10-4-7(6)9/h3-5H,1-2H3,(H,10,11)
InChIKeySLMFHTCESKEZGB-UHFFFAOYSA-N
XLogP1.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-4-propan-2-yl-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 5-fluoro-4-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-propan-2-yl-1H-pyridin-2-one (CID 58333456) is 5-fluoro-4-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-propan-2-yl-1H-pyridin-2-one is CC(C)c1cc(=O)[nH]cc1F.
What is the InChIKey of 5-fluoro-4-propan-2-yl-1H-pyridin-2-one?
The InChIKey is SLMFHTCESKEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5(2)6-3-8(11)10-4-7(6)9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-fluoro-4-propan-2-yl-1H-pyridin-2-one?
5-fluoro-4-propan-2-yl-1H-pyridin-2-one has a molecular weight of 155.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 58333456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).