6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one

C8H9F3N2O — CID 123165121

IUPAC6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCNc1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C8H9F3N2O/c1-4-3-5(8(9,10)11)6(12-2)7(14)13-4/h3,12H,1-2H3,(H,13,14)
InChIKeyWEXUGDJECRTYDG-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.74
Rot. Bonds1

About 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one

6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 123165121) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID123165121
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCNc1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C8H9F3N2O/c1-4-3-5(8(9,10)11)6(12-2)7(14)13-4/h3,12H,1-2H3,(H,13,14)
InChIKeyWEXUGDJECRTYDG-UHFFFAOYSA-N
XLogP1.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 123165121) is 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one is CNc1c(C(F)(F)F)cc(C)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WEXUGDJECRTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-3-5(8(9,10)11)6(12-2)7(14)13-4/h3,12H,1-2H3,(H,13,14).
What are the key properties of 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123165121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).