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

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

CAS No.: 1000340-39-5
M. Wt: 231.477
M. Fa: C7H4BrClN2
InChI Key: QLGXTRWCWHBPDP-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000340-39-5

CAS Number

1000340-39-5

MDL Number

MFCD09880132

IUPAC Name

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

InChI

InChI=1S/C7H4BrClN2/c8-4-3-11-7-6(4)5(9)1-2-10-7/h1-3H,(H,10,11)

InChIKey

QLGXTRWCWHBPDP-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1Cl)C(=CN2)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000340-39-5

Acidity coefficient

11.31±0.40(Predicted)

Boiling Point

350.468ºC at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

229.924637

Flash Point

165.757ºC

Index of Refraction

1.730

LogP

3.49

Melting Point

214-215ºC

Molecular Formula

C7H4BrClN2

Molecular Weight

231.477

PSA

28.68000

Storage condition

2-8°C

Safety Information of 1000340-39-5

Pictograms

Signal Word

 Danger

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

Applications of 1000340-39-5

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

  • Pharmaceutical Development: Its potential anticancer and antimicrobial properties make it a candidate for drug development.
  • Research Tool: This compound is used in various biochemical assays to study its effects on biological systems.
  • Material Science: Due to its unique chemical properties, it may find applications in developing new materials or as a building block for organic electronics.

The ongoing research into its properties could lead to new applications across various fields.

Interaction Studies of 1000340-39-5

Interaction studies involving 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine focus on understanding how this compound interacts with biological targets. These studies typically include:

  • Binding Affinity Assessments: Determining how well the compound binds to specific receptors or enzymes.
  • Cellular Uptake Studies: Investigating how effectively the compound enters cells and its subsequent biological effects.
  • Mechanistic Studies: Elucidating the pathways through which this compound exerts its biological effects.

Such studies are crucial for establishing the therapeutic potential and safety profile of this compound.

Biological Activity of 1000340-39-5

3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine exhibits notable biological activity, primarily due to its structural similarity to other biologically active compounds. Research indicates that it may possess:

    Further research is needed to fully elucidate its mechanisms of action and therapeutic potential.

    Physical sample testing spectrum (NMR) of 1000340-39-5

    Physical sample testing spectrum (NMR) of 1000340-39-5

    Retrosynthesis analysis of 1000340-39-5

    • Route#1

      Cas:55052-28-3
      Cas:1000340-39-5