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

C8H9F3N2O — CID 67124055

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(CN)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,3,12H2,1H3,(H,13,14)
InChIKeyWQHDTHDJPDGYLZ-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.16
Rot. Bonds1

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

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 67124055) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID67124055
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(CN)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,3,12H2,1H3,(H,13,14)
InChIKeyWQHDTHDJPDGYLZ-UHFFFAOYSA-N
XLogP1.16
TPSA58.88 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyridinecarboxamide, 1,2-dihydro-4,6-dimethyl-2-oxo-
CID 3016040
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
6-methyl-2-oxo-1H-pyridine-3,4-dicarboxamide
CID 280063
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride
CID 126809337
2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 51109177
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
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 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 67124055) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WQHDTHDJPDGYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 67124055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).