6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

C7H6F3NO2 — CID 123754015

IUPAC6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1cc(CC(F)(F)F)cc(O)[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)3-4-1-5(12)11-6(13)2-4/h1-2H,3H2,(H2,11,12,13)
InChIKeyGFCKCQCXCYJWJR-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.19
Rot. Bonds1

About 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (PubChem CID 123754015) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
PubChem CID123754015
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1cc(CC(F)(F)F)cc(O)[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)3-4-1-5(12)11-6(13)2-4/h1-2H,3H2,(H2,11,12,13)
InChIKeyGFCKCQCXCYJWJR-UHFFFAOYSA-N
XLogP1.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dihydroxy-3,4-dimethylpyridine
CID 10313171
6-Hydroxy-4-(trifluoromethyl)pyridin-2(1H)-one
CID 15495949
3-Cyano-4-(difluoromethyl)-2,6-dihydroxypyridine
CID 68951267
6-fluoro-1-hydroxy-2H-isoquinolin-3-one
CID 90817847
2,6-Dihydroxy-4-(trifluoromethyl)nicotinamide
CID 122360887
5-(fluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 152701922
3-(Trifluoromethyl)pyridine-2,6-diol
CID 17891626
4-Bromo-3-(difluoromethyl)pyridine-2,6-diol
CID 118806366
4-Amino-3-(difluoromethyl)pyridine-2,6-diol
CID 118806504
2-(4-(Difluoromethyl)-2,6-dihydroxypyridin-3-yl)acetonitrile
CID 118817525
4-(Difluoromethyl)-2,6-dihydroxynicotinamide
CID 118818692
4-Chloro-3-(difluoromethyl)pyridine-2,6-diol
CID 118822380

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (CID 123754015) is 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is O=c1cc(CC(F)(F)F)cc(O)[nH]1.
What is the InChIKey of 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The InChIKey is GFCKCQCXCYJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)3-4-1-5(12)11-6(13)2-4/h1-2H,3H2,(H2,11,12,13).
What are the key properties of 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123754015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).