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

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

CAS No.: 1000341-61-6
M. Wt: 231.477
M. Fa: C7H4BrClN2
InChI Key: KRXKOASQVGQLHZ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000341-61-6

CAS Number

1000341-61-6

MDL Number

MFCD09749982

IUPAC Name

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

InChI

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

InChIKey

KRXKOASQVGQLHZ-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000341-61-6

Boiling Point

393.2±37.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

229.924637

Flash Point

191.6±26.5 °C

Index of Refraction

1.730

LogP

2.09

Molecular Formula

C7H4BrClN2

Molecular Weight

231.477

PSA

28.68000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 1000341-61-6

Pictograms

Signal Word

 Warning

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

Applications of 1000341-61-6

3-Bromo-6-chloro-1H-pyrrolo[3,2-c]pyridine finds applications in:

  • Organic Synthesis: It serves as a versatile building block for synthesizing complex organic molecules.
  • Pharmaceutical Development: Its derivatives are investigated for potential therapeutic effects, particularly in drug discovery efforts targeting various diseases.

Interaction Studies of 1000341-61-6

Studies on the interactions of 3-bromo-6-chloro-1H-pyrrolo[3,2-c]pyridine with biological molecules have indicated that it may bind effectively to certain receptors or enzymes, potentially leading to significant pharmacological effects. The halogen substituents may enhance lipophilicity and improve binding affinity to biological targets, making it a candidate for further investigation in drug design.

Biological Activity of 1000341-61-6

The biological activity of 3-bromo-6-chloro-1H-pyrrolo[3,2-c]pyridine has been explored in various studies. It has shown potential as an intermediate in the synthesis of bioactive compounds, particularly those with pharmacological properties. The presence of halogen atoms in its structure may enhance its bioactivity by influencing the compound's interaction with biological targets.

Physical sample testing spectrum (NMR) of 1000341-61-6

Physical sample testing spectrum (NMR) of 1000341-61-6