structure of 6-Bromo-1H-pyrrolo[3,2-c]pyridine

6-Bromo-1H-pyrrolo[3,2-c]pyridine

CAS No.: 1000342-71-1
M. Wt: 197.032
M. Fa: C7H5BrN2
InChI Key: IRXFHLHFJHIJTO-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 6-Bromo-1H-pyrrolo[3,2-c]pyridine

CAS Number

1000342-71-1

MDL Number

MFCD08690134

IUPAC Name

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

InChI

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

InChIKey

IRXFHLHFJHIJTO-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=CC(=NC=C21)Br

UNSPSC Code

12352100

Physical and chemical properties of 6-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 6-Bromo-1H-pyrrolo[3,2-c]pyridine

Pictograms

Signal Word

 Danger

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

Applications of 6-Bromo-1H-pyrrolo[3,2-c]pyridine

6-Bromo-1H-pyrrolo[3,2-c]pyridine has various applications in research and industry:

  • Pharmaceuticals: Its role as a potential drug candidate for targeting epigenetic readers makes it valuable in developing therapies for cancer and other diseases.
  • Material Science: The compound's unique structural properties may be exploited in creating advanced materials with specific electronic or optical characteristics.

Interaction Studies of 6-Bromo-1H-pyrrolo[3,2-c]pyridine

Studies on 6-bromo-1H-pyrrolo[3,2-c]pyridine have focused on its interactions with biological macromolecules. Notably, it has been shown to selectively bind to bromodomain-containing proteins, influencing their activity and potentially altering gene expression profiles. This selectivity is crucial for designing targeted therapies that minimize off-target effects while maximizing therapeutic efficacy.

Biological Activity of 6-Bromo-1H-pyrrolo[3,2-c]pyridine

Research indicates that 6-bromo-1H-pyrrolo[3,2-c]pyridine exhibits significant biological activity. It has been studied for its potential as an inhibitor of bromodomain and extra-terminal domain proteins, which are involved in regulating gene expression through epigenetic mechanisms. Such inhibition could have implications in treating diseases like cancer and inflammatory disorders. Additionally, it has shown promise in modulating various signaling pathways, making it a candidate for drug development.

Physical sample testing spectrum (NMR) of 6-Bromo-1H-pyrrolo[3,2-c]pyridine

Physical sample testing spectrum (NMR) of 6-Bromo-1H-pyrrolo[3,2-c]pyridine