structure of 1-(7-Bromo-5-nitro-1H-indol-1-yl)ethanone

1-(7-Bromo-5-nitro-1H-indol-1-yl)ethanone

CAS No.: 1000343-23-6
M. Wt: 283.078
M. Fa: C10H7BrN2O3
InChI Key: XYPVOCFWGOBPPW-UHFFFAOYSA-N

Names and Identifiers of 1000343-23-6

CAS Number

1000343-23-6

IUPAC Name

1-(7-bromo-5-nitroindol-1-yl)ethanone

InChI

InChI=1S/C10H7BrN2O3/c1-6(14)12-3-2-7-4-8(13(15)16)5-9(11)10(7)12/h2-5H,1H3

InChIKey

XYPVOCFWGOBPPW-UHFFFAOYSA-N

Canonical SMILES

CC(=O)N1C=CC2=CC(=CC(=C21)Br)[N+](=O)[O-]

Physical and chemical properties of 1000343-23-6

Boiling Point

395.2±22.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

281.963989

Flash Point

192.8±22.3 °C

Index of Refraction

1.684

LogP

2.49

Molecular Formula

C10H7BrN2O3

Molecular Weight

283.078

PSA

67.82000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Applications of 1000343-23-6

The compound has several applications across different fields:

  • Chemistry: Serves as a building block for synthesizing more complex molecules.
  • Biology: Studied for potential biological activities, including antimicrobial and anticancer effects.
  • Medicine: Investigated for drug development targeting specific biological pathways.
  • Industry: Utilized in developing dyes, pigments, and other industrial chemicals.

Interaction Studies of 1000343-23-6

The interaction studies involving 1-(7-Bromo-5-nitro-1H-indol-1-yl)ethanone focus on its mechanism of action within biological systems. It may interact with various molecular targets, such as enzymes or receptors, influencing their activity. The presence of both the nitro and bromo groups can enhance its binding affinity and specificity for these targets, potentially leading to significant biological effects.

Biological Activity of 1000343-23-6

The biological activity of 1-(7-Bromo-5-nitro-1H-indol-1-yl)ethanone has been explored in various studies. Indole derivatives, including this compound, are known for their diverse biological effects, such as:

  • Antimicrobial Activity: Exhibiting potential against various pathogens.
  • Anticancer Properties: Investigated for their ability to inhibit cancer cell growth and induce apoptosis.
  • Anti-inflammatory Effects: Some indole derivatives have shown promise in reducing inflammation through inhibition of specific pathways.