structure of 5-bromo-6-iodo-1H-indole

5-bromo-6-iodo-1H-indole

CAS No.: 1000343-06-5
M. Wt: 321.940
M. Fa: C8H5BrIN
InChI Key: PMBYXSFYQDBLEF-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 5-bromo-6-iodo-1H-indole

CAS Number

1000343-06-5

MDL Number

MFCD09880052

IUPAC Name

5-bromo-6-iodo-1H-indole

InChI

InChI=1S/C8H5BrIN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

InChIKey

PMBYXSFYQDBLEF-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=CC(=C(C=C21)Br)I

UNSPSC Code

12352100

Physical and chemical properties of 5-bromo-6-iodo-1H-indole

Boiling Point

396.7±22.0 °C at 760 mmHg

Density

2.3±0.1 g/cm3

Exact Mass

320.864990

Flash Point

193.7±22.3 °C

Index of Refraction

1.786

LogP

3.94

Molecular Formula

C8H5BrIN

Molecular Weight

321.940

PSA

15.79000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 5-bromo-6-iodo-1H-indole

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 5-bromo-6-iodo-1H-indole

5-Bromo-6-iodo-1H-indole finds applications across various fields:

  • Pharmaceutical Development: As a building block in the synthesis of bioactive compounds, particularly those targeting cancer or infectious diseases.
  • Material Science: Used in the development of organic semiconductors and other advanced materials due to its electronic properties.
  • Chemical Probes: Employed as a tool in biological research to study cellular processes or as a fluorescent probe due to its unique spectral properties.

Interaction Studies of 5-bromo-6-iodo-1H-indole

Interaction studies involving 5-bromo-6-iodo-1H-indole focus on its binding affinity to biological targets such as enzymes or receptors. These studies often employ techniques like:

  • Molecular Docking: To predict how the compound interacts with specific protein targets.
  • In Vitro Assays: To evaluate its effectiveness against various biological systems, including cancer cell lines or microbial strains.

The results from these studies can provide insights into the mechanism of action and potential therapeutic applications of this compound.

Biological Activity of 5-bromo-6-iodo-1H-indole

The biological activity of 5-bromo-6-iodo-1H-indole has been explored in various studies. Compounds containing indole moieties are known for their diverse pharmacological properties, including:

  • Anticancer Activity: Indole derivatives have been reported to exhibit cytotoxic effects against various cancer cell lines.
  • Antimicrobial Properties: Some studies suggest that halogenated indoles possess antibacterial and antifungal activities.
  • Neuroprotective Effects: Certain indole derivatives are being investigated for their potential neuroprotective properties.

The specific biological activities of 5-bromo-6-iodo-1H-indole may vary based on its structural characteristics and the context of its use in medicinal chemistry.

Physical sample testing spectrum (NMR) of 5-bromo-6-iodo-1H-indole

Physical sample testing spectrum (NMR) of 5-bromo-6-iodo-1H-indole