structure of 4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

CAS No.: 1000340-36-2
M. Wt: 241.042
M. Fa: C8H5BrN2O2
InChI Key: CGEPFCDRFZLRGQ-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000340-36-2

CAS Number

1000340-36-2

EC Number

875-581-4

MDL Number

MFCD09880127

IUPAC Name

4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

InChI

InChI=1S/C8H5BrN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

CGEPFCDRFZLRGQ-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1Br)C(=CN2)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000340-36-2

Density

1.9±0.1 g/cm3

Exact Mass

239.953430

Index of Refraction

1.766

LogP

2.34

Molecular Formula

C8H5BrN2O2

Molecular Weight

241.042

PSA

65.98000

Storage condition

Keep in dark place,Sealed in dry,Room Temperature

Safety Information of 1000340-36-2

Pictograms

Signal Word

 Warning

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

Applications of 1000340-36-2

The compound finds utility in several domains:

  • Pharmaceutical Development: As an intermediate in the synthesis of bioactive compounds.
  • Material Science: Potential applications in developing new materials due to its unique structural properties.
  • Research Reagent: Used in various chemical research settings for studying reaction mechanisms involving heterocycles.

Interaction Studies of 1000340-36-2

Interaction studies have highlighted the compound's ability to bind with various biological targets. For instance:

  • Protein Binding Studies: Investigations into how this compound interacts with proteins have shown promising results for drug design.
  • Molecular Docking Studies: Computational models suggest favorable interactions with targets involved in cancer pathways.

Biological Activity of 1000340-36-2

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has shown potential biological activities. Research indicates that it may exhibit:

  • Antimicrobial Properties: Some studies suggest that derivatives of this compound can inhibit the growth of bacteria and fungi.
  • Anticancer Activity: Preliminary research indicates potential cytotoxic effects against various cancer cell lines.
  • Enzyme Inhibition: It may act as an inhibitor for certain enzymes involved in metabolic pathways.

Physical sample testing spectrum (NMR) of 1000340-36-2

Physical sample testing spectrum (NMR) of 1000340-36-2