structure of 3-(2-Bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

3-(2-Bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

CAS No.: 1000931-76-9
M. Wt: 284.0320129
M. Fa: C8H5BrF3NO2
InChI Key: UESGIORATZLCQR-UHFFFAOYSA-N

Names and Identifiers of 1000931-76-9

CAS Number

1000931-76-9

MDL Number

MFCD09971733

IUPAC Name

3-(2-bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

InChI

InChI=1S/C8H5BrF3NO2/c9-3-5(14)4-1-2-6(8(10,11)12)13-7(4)15/h1-2H,3H2,(H,13,15)

InChIKey

UESGIORATZLCQR-UHFFFAOYSA-N

Canonical SMILES

O=C(CBr)C1=CC=C(C(F)(F)F)NC1=O

UNSPSC Code

12352100

Physical and chemical properties of 1000931-76-9

Acidity coefficient

5.52±0.10(Predicted)

Boiling Point

352.1±42.0 °C(Predicted)

Density

1.785±0.06 g/cm3(Predicted)

H Bond Acceptors

2

H Bond Donors

1

LogP

1.185097244

Molecular Formula

C8H5BrF3NO2

Molecular Weight

284.0320129

Safety Information of 1000931-76-9

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000931-76-9

3-(2-bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one has several applications:

  • Pharmaceutical Development: Due to its potential biological activities, this compound is being explored as a lead structure for developing new drugs targeting infections and cancers.
  • Chemical Probes: It can serve as a chemical probe in biological studies to investigate mechanisms of action related to its biological activities.

Interaction Studies of 1000931-76-9

Interaction studies are crucial for understanding how this compound behaves in biological systems. Research typically focuses on:

  • Binding Affinity: Evaluating how well the compound binds to specific biological targets (e.g., enzymes or receptors).
  • Metabolic Stability: Assessing how resistant the compound is to metabolic breakdown in biological systems.

Such studies help elucidate the pharmacokinetic properties of 3-(2-bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one and its potential therapeutic efficacy.

Biological Activity of 1000931-76-9

Research has indicated that compounds containing dihydropyridinone structures exhibit significant biological activities. Specifically, 3-(2-bromoacetyl)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one has shown potential as:

  • Antimicrobial Agents: Similar compounds have demonstrated activity against various bacterial strains.
  • Anticancer Properties: Dihydropyridinones have been investigated for their ability to inhibit tumor growth and induce apoptosis in cancer cells.
  • Anti-inflammatory Effects: Some derivatives have shown promise in reducing inflammation through modulation of inflammatory pathways.