4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one

C6H3F4NO — CID 118704288

IUPAC4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F4NO/c7-3-1-4(6(8,9)10)11-5(12)2-3/h1-2H,(H,11,12)
InChIKeyANXPVDBGDMVLLT-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.53
Rot. Bonds

About 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one

4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704288) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704288
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F4NO/c7-3-1-4(6(8,9)10)11-5(12)2-3/h1-2H,(H,11,12)
InChIKeyANXPVDBGDMVLLT-UHFFFAOYSA-N
XLogP1.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2(1H)-Pyridinone, 6-(trifluoromethyl)-
CID 10154195
3-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 46318013
4-Iodo-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 118704344
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
2(1H)-Pyridinone, 6-(fluoromethyl)-
CID 10464359
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
3,5-difluoro-6-methyl-1H-pyridin-2-one
CID 20602953
4-Fluoro-6-methylpyridin-2-OL
CID 53408005
CID 69343431
CID 69343431
(2-Hydroxy-6-(trifluoromethyl)pyridin-4-yl)boronic acid
CID 72212958
5-Amino-6-(trifluoromethyl)pyridin-2-ol
CID 82599644
N-(2,4-difluorobenzene-3-id-1-yl)-2,2,2-trifluoroacetamide;titanium
CID 88051430

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one (CID 118704288) is 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(F)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ANXPVDBGDMVLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-3-1-4(6(8,9)10)11-5(12)2-3/h1-2H,(H,11,12).
What are the key properties of 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one?
4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 181.09 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).