5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one

C6H3F4NO — CID 118703924

IUPAC5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1C(F)(F)F
InChIInChI=1S/C6H3F4NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
InChIKeyBKCDBFKMFXHXDE-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.53
Rot. Bonds

About 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one

5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118703924) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118703924
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1C(F)(F)F
InChIInChI=1S/C6H3F4NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
InChIKeyBKCDBFKMFXHXDE-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, 3-(trifluoromethyl)-
CID 3678411
5-Iodo-3-(trifluoromethyl)pyridin-2-ol
CID 11522099
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 13491780
3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
[6-Hydroxy-5-(trifluoromethyl)pyridin-3-yl]boronic acid
CID 91882762
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
5-(Perfluoroethyl)-3-(trifluoromethyl)pyridin-2-OL
CID 154717791
2(1H)-Pyridinone, 3,5-difluoro-
CID 12000513
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867
3,4-Bis(trifluoromethyl)-2-hydroxypyridine
CID 20429828
3-Fluoro-5-(trifluoromethyl)pyridin-2-ol
CID 21618255
3-Methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 23049003

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118703924) is 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(F)cc1C(F)(F)F.
What is the InChIKey of 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BKCDBFKMFXHXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12).
What are the key properties of 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
5-fluoro-3-(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 5-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118703924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).