5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one

C9H12FNO — CID 129075338

IUPAC5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(F)cn(C)c1=O
InChIInChI=1S/C9H12FNO/c1-6(2)8-4-7(10)5-11(3)9(8)12/h4-6H,1-3H3
InChIKeyWZDIALDWNKDZLD-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.65
Rot. Bonds1

About 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one

5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 129075338) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID129075338
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(F)cn(C)c1=O
InChIInChI=1S/C9H12FNO/c1-6(2)8-4-7(10)5-11(3)9(8)12/h4-6H,1-3H3
InChIKeyWZDIALDWNKDZLD-UHFFFAOYSA-N
XLogP1.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
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3-Fluoro-1,5-dimethylpyridin-2-one
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5-bromo-3-(1-fluoropropan-2-yl)-1H-pyridin-2-one
CID 67479273
3-ethyl-5-fluoro-1H-pyridin-2-one
CID 68075676
3-tert-butyl-5-fluoro-1H-pyridin-2-one
CID 68910526
1-Methyl-3,5-bis(trifluoromethyl)pyridine-2(1H)-one
CID 71737237
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
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CID 89965764

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one (CID 129075338) is 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one is CC(C)c1cc(F)cn(C)c1=O.
What is the InChIKey of 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is WZDIALDWNKDZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(2)8-4-7(10)5-11(3)9(8)12/h4-6H,1-3H3.
What are the key properties of 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one?
5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 129075338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).