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

C9H10F3NO2 — CID 25018650

IUPAC3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CC(F)(F)F)n1C
InChIInChI=1S/C9H10F3NO2/c1-5-3-7(14)8(15)6(13(5)2)4-9(10,11)12/h3,15H,4H2,1-2H3
InChIKeyXQGVSTQUFGWXIN-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.50
Rot. Bonds1

About 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one

3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 25018650) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID25018650
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CC(F)(F)F)n1C
InChIInChI=1S/C9H10F3NO2/c1-5-3-7(14)8(15)6(13(5)2)4-9(10,11)12/h3,15H,4H2,1-2H3
InChIKeyXQGVSTQUFGWXIN-UHFFFAOYSA-N
XLogP1.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
CID 86321
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-propenyl)-
CID 3079582
3-hydroxy-1,6-dimethyl-2-propylpyridin-4(1H)-one
CID 10103786
2-butyl-3-hydroxy-1,6-dimethylpyridin-4(1H)-one
CID 10035552
1-Butyl-5-hydroxy-2-methylpyridin-4-one
CID 22367253
5-Hydroxy-2-methyl-1-propylpyridin-4-one
CID 85595353
3-Hydroxy-1-methyl-2-(trifluoromethyl)pyridin-4-one
CID 44192602
3-hydroxy-1-methyl-2-(2,2,2-trifluoro-ethyl)-1H-pyridin-4-one
CID 24944548
2-(Difluoromethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
CID 25018651
6-(Difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one
CID 25018653

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one (CID 25018650) is 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CC(F)(F)F)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is XQGVSTQUFGWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-3-7(14)8(15)6(13(5)2)4-9(10,11)12/h3,15H,4H2,1-2H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 221.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 25018650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).