structure of 6-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

6-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

CAS No.: 1000340-74-8
M. Wt: 222.042
M. Fa: C8H4BrN3
InChI Key: BOZYLNVZPZHGBQ-UHFFFAOYSA-N

Names and Identifiers of 1000340-74-8

CAS Number

1000340-74-8

IUPAC Name

6-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

InChI

InChI=1S/C8H4BrN3/c9-7-3-5(4-10)6-1-2-11-8(6)12-7/h1-3H,(H,11,12)

InChIKey

BOZYLNVZPZHGBQ-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=C1C(=CC(=N2)Br)C#N

Physical and chemical properties of 1000340-74-8

Acidity coefficient

11.12±0.40(Predicted)

Boiling Point

305.8±37.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

220.958847

Flash Point

138.8±26.5 °C

Index of Refraction

1.739

LogP

3.15

Molecular Formula

C8H4BrN3

Molecular Weight

222.042

PSA

52.47000

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000340-74-8

Pictograms

Signal Word

 Warning

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

Applications of 1000340-74-8

6-Bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile has several potential applications:

  • Pharmaceutical Development: Due to its biological activity, it may serve as a lead compound in drug discovery efforts targeting specific diseases.
  • Chemical Synthesis: It can act as an intermediate in the synthesis of more complex organic molecules.
  • Material Science: Its unique properties may find applications in developing new materials with specific electronic or optical characteristics.

Research into these areas continues to explore its full potential.

Interaction Studies of 1000340-74-8

Interaction studies involving 6-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile have focused on its binding affinity toward various biological targets. Preliminary data suggest that it may interact with proteins involved in metabolic processes, particularly those related to drug metabolism (cytochrome P450 enzymes). Further studies are warranted to elucidate its binding mechanisms and specificity towards these targets, which could inform its therapeutic applications.