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

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

CAS No.: 1000341-79-6
M. Wt: 241.042
M. Fa: C8H5BrN2O2
InChI Key: JLDJTYPAONDMKO-UHFFFAOYSA-N

Names and Identifiers of 1000341-79-6

CAS Number

1000341-79-6

MDL Number

MFCD09749990

IUPAC Name

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

InChI

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

InChIKey

JLDJTYPAONDMKO-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C(C2=C1NC=C2C(=O)O)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000341-79-6

Boiling Point

524.0±45.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

239.953430

Flash Point

270.7±28.7 °C

H Bond Acceptors

3

H Bond Donors

2

Index of Refraction

1.766

LogP

1.30

Molecular Formula

C8H5BrN2O2

Molecular Weight

241.042

PSA

65.98000

Vapour Pressure

0.0±1.4 mmHg at 25°C

Safety Information of 1000341-79-6

Pictograms

Signal Word

 Warning

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

Applications of 1000341-79-6

4-Bromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid has diverse applications:

  • Medicinal Chemistry: Its potential as an enzyme inhibitor makes it a candidate for drug development.
  • Material Science: The compound may be used in synthesizing novel materials due to its unique structural properties.
  • Research Tool: It serves as a useful intermediate for synthesizing other biologically active compounds.

Interaction Studies of 1000341-79-6

Interaction studies have shown that 4-Bromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid interacts with various enzymes and receptors. These interactions are crucial for understanding its pharmacological profile and predicting potential drug-drug interactions. For instance, its ability to inhibit cytochrome P450 enzymes suggests implications for drug metabolism and therapeutic efficacy in co-administered drugs.

Biological Activity of 1000341-79-6

The biological activity of 4-Bromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid is significant due to its ability to interact with various molecular targets, including enzymes and receptors. The compound may inhibit specific proteins by binding to their active sites, which can modulate cellular pathways. This mechanism suggests potential therapeutic applications, particularly in the fields of cancer treatment and enzyme inhibition.