5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C8H9F3N2O — CID 79355133

IUPAC5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2O/c1-5-2-7(14)13(3-6(5)12)4-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyZTPVKABIIYGNOD-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.30
Rot. Bonds1

About 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 79355133) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID79355133
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2O/c1-5-2-7(14)13(3-6(5)12)4-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyZTPVKABIIYGNOD-UHFFFAOYSA-N
XLogP1.30
TPSA48.02 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 79355133) is 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1cc(=O)n(CC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is ZTPVKABIIYGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-2-7(14)13(3-6(5)12)4-8(9,10)11/h2-3H,4,12H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 79355133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).