5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one

C8H8F3NO — CID 18723546

IUPAC5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(=O)[nH]c1C
InChIInChI=1S/C8H8F3NO/c1-4-3-6(8(9,10)11)7(13)12-5(4)2/h3H,1-2H3,(H,12,13)
InChIKeyHAVBLSXKVVBKJX-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.01
Rot. Bonds

About 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one

5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 18723546) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID18723546
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(=O)[nH]c1C
InChIInChI=1S/C8H8F3NO/c1-4-3-6(8(9,10)11)7(13)12-5(4)2/h3H,1-2H3,(H,12,13)
InChIKeyHAVBLSXKVVBKJX-UHFFFAOYSA-N
XLogP2.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CID 674145
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1480186
5,6-Dimethyl-2-pyridone
CID 119785
3,4,5,6-Tetramethylpyridin-2(1H)-one
CID 13433062
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
3-ethyl-6-methyl-1H-pyridin-2-one
CID 2797876
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinamide
CID 14043512
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 18723546) is 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HAVBLSXKVVBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-3-6(8(9,10)11)7(13)12-5(4)2/h3H,1-2H3,(H,12,13).
What are the key properties of 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 18723546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).