structure of 4-bromo-1H-pyrrolo[3,2-c]pyridine

4-bromo-1H-pyrrolo[3,2-c]pyridine

CAS No.: 1000342-68-6
M. Wt: 197.032
M. Fa: C7H5BrN2
InChI Key: NSMUYOMTEILLCK-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 4-bromo-1H-pyrrolo[3,2-c]pyridine

CAS Number

1000342-68-6

MDL Number

MFCD08690131

IUPAC Name

4-bromo-1H-pyrrolo[3,2-c]pyridine

InChI

InChI=1S/C7H5BrN2/c8-7-5-1-3-9-6(5)2-4-10-7/h1-4,9H

InChIKey

NSMUYOMTEILLCK-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=C1C(=NC=C2)Br

UNSPSC Code

12352100

Physical and chemical properties of 4-bromo-1H-pyrrolo[3,2-c]pyridine

Acidity coefficient

14.27±0.40(Predicted)

Boiling Point

362.0±22.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

195.963608

Flash Point

172.7±22.3 °C

Index of Refraction

1.728

LogP

1.46

Molecular Formula

C7H5BrN2

Molecular Weight

197.032

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 4-bromo-1H-pyrrolo[3,2-c]pyridine

Pictograms

Signal Word

 Warning

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

Applications of 4-bromo-1H-pyrrolo[3,2-c]pyridine

4-Bromo-1H-pyrrolo[3,2-c]pyridine has several applications in the fields of medicinal chemistry and material science:

  • Pharmaceutical Development: Its derivatives are being investigated for their potential use as anti-cancer agents and anti-inflammatory drugs.
  • Chemical Probes: This compound serves as a useful chemical probe in biological studies to understand the mechanisms of action of various targets.
  • Material Science: Its unique structural properties may allow it to be used in developing novel materials with specific electronic or optical properties.

Interaction Studies of 4-bromo-1H-pyrrolo[3,2-c]pyridine

Interaction studies involving 4-bromo-1H-pyrrolo[3,2-c]pyridine often focus on its binding affinities with biological targets. These studies typically employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific proteins or enzymes.
  • In Vitro Assays: To evaluate the biological activity and efficacy of the compound against various cellular models.

Such studies are crucial for understanding its mechanism of action and optimizing its pharmacological properties.

Biological Activity of 4-bromo-1H-pyrrolo[3,2-c]pyridine

Research indicates that 4-bromo-1H-pyrrolo[3,2-c]pyridine exhibits significant biological activity. It has been studied for its potential as an inhibitor of various enzymes and receptors, including:

  • Colchicine-Binding Site Inhibitors: Derivatives of this compound have been designed to inhibit binding sites relevant to colchicine, which may have implications in treating cancer and inflammatory diseases .
  • Antimicrobial Activity: Some studies suggest that compounds with similar structures may exhibit antimicrobial properties, making them candidates for further exploration in drug development.

Physical sample testing spectrum (NMR) of 4-bromo-1H-pyrrolo[3,2-c]pyridine

Physical sample testing spectrum (NMR) of 4-bromo-1H-pyrrolo[3,2-c]pyridine