1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one

C9H11F3N2O — CID 82146796

IUPAC1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(CN)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O/c1-6(4-13)14-5-7(9(10,11)12)2-3-8(14)15/h2-3,5-6H,4,13H2,1H3
InChIKeyPQOOJIIELPMPFG-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.39
Rot. Bonds2

About 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one

1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 82146796) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID82146796
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(CN)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O/c1-6(4-13)14-5-7(9(10,11)12)2-3-8(14)15/h2-3,5-6H,4,13H2,1H3
InChIKeyPQOOJIIELPMPFG-UHFFFAOYSA-N
XLogP1.39
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one (CID 82146796) is 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one is CC(CN)n1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is PQOOJIIELPMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(4-13)14-5-7(9(10,11)12)2-3-8(14)15/h2-3,5-6H,4,13H2,1H3.
What are the key properties of 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one?
1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 82146796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).