6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one

C10H12F3NO — CID 177016214

IUPAC6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)Cc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H12F3NO/c1-6(2)5-7-3-4-8(9(15)14-7)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyPUEYOFKNMUXRDG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.59
Rot. Bonds2

About 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one

6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 177016214) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID177016214
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)Cc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H12F3NO/c1-6(2)5-7-3-4-8(9(15)14-7)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyPUEYOFKNMUXRDG-UHFFFAOYSA-N
XLogP2.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
6-(2-Methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12508534
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
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 177016214) is 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one is CC(C)Cc1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PUEYOFKNMUXRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(2)5-7-3-4-8(9(15)14-7)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 177016214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).