structure of 5-bromo-1H-pyrrolo[3,2-b]pyridine

5-bromo-1H-pyrrolo[3,2-b]pyridine

CAS No.: 1000341-51-4
M. Wt: 197.032
M. Fa: C7H5BrN2
InChI Key: KJTANNMEOBCHKP-UHFFFAOYSA-N
Appearance: Gray Solid

Names and Identifiers of 5-bromo-1H-pyrrolo[3,2-b]pyridine

CAS Number

1000341-51-4

MDL Number

MFCD09263244

IUPAC Name

5-bromo-1H-pyrrolo[3,2-b]pyridine

InChI

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

InChIKey

KJTANNMEOBCHKP-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=NC2=C1NC=C2)Br

UNSPSC Code

12352100

Physical and chemical properties of 5-bromo-1H-pyrrolo[3,2-b]pyridine

Acidity coefficient

13.70±0.40(Predicted)

Boiling Point

332.2±22.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

195.963608

Flash Point

154.7±22.3 °C

Index of Refraction

1.728

LogP

1.70

Molecular Formula

C7H5BrN2

Molecular Weight

197.032

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 5-bromo-1H-pyrrolo[3,2-b]pyridine

Pictograms

Signal Word

 Warning

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

Applications of 5-bromo-1H-pyrrolo[3,2-b]pyridine

The applications of 5-bromo-1H-pyrrolo[3,2-b]pyridine span various fields:

  • Pharmaceutical Development: Its role as a kinase inhibitor positions it as a promising candidate for drug development targeting cancer therapies.
  • Synthetic Chemistry: It serves as a versatile building block in organic synthesis, particularly in creating complex heterocycles and marine alkaloids.
  • Material Science: The compound may be explored for use in developing novel materials due to its unique structural properties.

Interaction Studies of 5-bromo-1H-pyrrolo[3,2-b]pyridine

Studies on the interactions of 5-bromo-1H-pyrrolo[3,2-b]pyridine with biological targets reveal its potential therapeutic implications. The compound's binding affinity for fibroblast growth factor receptors indicates its capability to influence critical signaling pathways involved in cell growth and differentiation. Research has shown that its interaction can lead to significant changes in cellular metabolism and gene expression profiles, highlighting its importance in biochemical research.

Biological Activity of 5-bromo-1H-pyrrolo[3,2-b]pyridine

The biological activities of 5-bromo-1H-pyrrolo[3,2-b]pyridine have garnered attention for its potential as a kinase inhibitor. It has been shown to interact with fibroblast growth factor receptors (FGFRs), specifically FGFR1, FGFR2, and FGFR3. This interaction can inhibit cell proliferation and induce apoptosis in cancer cells by blocking the ATP-binding site of the receptors. The compound's ability to modulate cellular processes makes it a candidate for further pharmacological exploration.

Physical sample testing spectrum (NMR) of 5-bromo-1H-pyrrolo[3,2-b]pyridine

Physical sample testing spectrum (NMR) of 5-bromo-1H-pyrrolo[3,2-b]pyridine