1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

C15H14F6N2O2 — CID 158497319

IUPAC1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)[nH]1.Cc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H8F3NO.C7H6F3NO/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;1-4-2-5(7(8,9)10)3-6(12)11-4/h3-4H,1-2H3;2-3H,1H3,(H,11,12)
InChIKeyHJLLCHYIDYPYGJ-UHFFFAOYSA-N
MW368.28 g/mol
LogP3.41
Rot. Bonds

About 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 158497319) has the molecular formula C15H14F6N2O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID158497319
Molecular FormulaC15H14F6N2O2
Molecular Weight368.28 g/mol
Exact Mass368.10
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)[nH]1.Cc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H8F3NO.C7H6F3NO/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;1-4-2-5(7(8,9)10)3-6(12)11-4/h3-4H,1-2H3;2-3H,1H3,(H,11,12)
InChIKeyHJLLCHYIDYPYGJ-UHFFFAOYSA-N
XLogP3.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050
8-(Trifluoromethyl)-1,2,3,4-tetrahydro-6H-pyrido[1,2-a]pyrazine-6-one
CID 58916510
6-methyl-4-[2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-1H-pyridin-2-one
CID 68736633
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
1-Hydroxy-2-methyl-6-(2,2,2-trifluoroethylamino)isoquinolin-3-one
CID 91081208
N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
CID 134340734
2-[1-Methyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]acetamide
CID 141609375
6-(2,2,2-Trifluoroacetyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 153553345
(Z)-3-[[2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl-formylamino]-N-methylbut-2-enamide
CID 155699504

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 158497319) is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)[nH]1.Cc1cc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HJLLCHYIDYPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C7H6F3NO/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;1-4-2-5(7(8,9)10)3-6(12)11-4/h3-4H,1-2H3;2-3H,1H3,(H,11,12).
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 368.28 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 158497319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).