3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one

C8H9F3N2O — CID 130751939

IUPAC3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc([C@@H](N)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-4-2-3-5(7(14)13-4)6(12)8(9,10)11/h2-3,6H,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyGYRHYLYFDAQNLG-ZCFIWIBFSA-N
MW206.17 g/mol
LogP1.25
Rot. Bonds1

About 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one

3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one (PubChem CID 130751939) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one
PubChem CID130751939
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc([C@@H](N)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O/c1-4-2-3-5(7(14)13-4)6(12)8(9,10)11/h2-3,6H,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyGYRHYLYFDAQNLG-ZCFIWIBFSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
N-(1-Methylpropyl)-2-oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828247
3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
CID 66697558
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-2(1h)-pyridinone
CID 67124055
3-(Aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2-ol
CID 71433049
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
3-Ethyl-6-(trifluoromethyl)pyridin-2-ol
CID 89003285
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 90102279

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one (CID 130751939) is 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one is Cc1ccc([C@@H](N)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is GYRHYLYFDAQNLG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-2-3-5(7(14)13-4)6(12)8(9,10)11/h2-3,6H,12H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one?
3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130751939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).