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

C8H9F3N2O — CID 177029797

IUPAC1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(C(F)(F)F)ccn(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-12-6-5(8(9,10)11)3-4-13(2)7(6)14/h3-4,12H,1-2H3
InChIKeyCOCCCNXXRGXUEI-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.45
Rot. Bonds1

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

1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 177029797) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one
PubChem CID177029797
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(C(F)(F)F)ccn(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-12-6-5(8(9,10)11)3-4-13(2)7(6)14/h3-4,12H,1-2H3
InChIKeyCOCCCNXXRGXUEI-UHFFFAOYSA-N
XLogP1.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one (CID 177029797) is 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one is CNc1c(C(F)(F)F)ccn(C)c1=O.
What is the InChIKey of 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is COCCCNXXRGXUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-12-6-5(8(9,10)11)3-4-13(2)7(6)14/h3-4,12H,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 177029797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).