4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

C6H4F3NO — CID 130096209

IUPAC4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)F)c1F
InChIInChI=1S/C6H4F3NO/c7-4-3(5(8)9)1-2-10-6(4)11/h1-2,5H,(H,10,11)
InChIKeyYDJLWXRKJIJAMP-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.45
Rot. Bonds1

About 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 130096209) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
PubChem CID130096209
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)F)c1F
InChIInChI=1S/C6H4F3NO/c7-4-3(5(8)9)1-2-10-6(4)11/h1-2,5H,(H,10,11)
InChIKeyYDJLWXRKJIJAMP-UHFFFAOYSA-N
XLogP1.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxy-5-(trifluoromethyl)pyridine
CID 147443
2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
2-Hydroxy-4-methylpyridine
CID 280741
2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
2-Hydroxy-4-(trifluoromethyl)nicotinamide
CID 542065
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
5-(Difluoromethyl)pyridin-2-ol
CID 83854588
3-Fluoro-1,2-dihydro-2-oxo-4-pyridinecarbonitrile
CID 55299064
2-Hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 69568658
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbothialdehyde
CID 11171779

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (CID 130096209) is 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is O=c1[nH]ccc(C(F)F)c1F.
What is the InChIKey of 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is YDJLWXRKJIJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-4-3(5(8)9)1-2-10-6(4)11/h1-2,5H,(H,10,11).
What are the key properties of 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one has a molecular weight of 163.10 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130096209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).