structure of 4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine

4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine

CAS No.: 1000341-81-0
M. Wt: 231.477
M. Fa: C7H4BrClN2
InChI Key: QULWOGLBWMRZGR-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000341-81-0

CAS Number

1000341-81-0

MDL Number

MFCD09749991

IUPAC Name

4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine

InChI

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

InChIKey

QULWOGLBWMRZGR-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=C1C(=NC=C2Cl)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000341-81-0

Boiling Point

372.2±37.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

229.924637

Flash Point

178.9±26.5 °C

Index of Refraction

1.730

LogP

2.75

Molecular Formula

C7H4BrClN2

Molecular Weight

231.477

PSA

28.68000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000341-81-0

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1000341-81-0

The primary application of 4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine lies in medicinal chemistry as a precursor for synthesizing cannabinoid receptor modulators. These compounds have shown promise in the treatment of various conditions including pain management and neurodegenerative diseases. Additionally, due to its unique structure, it serves as an important intermediate in organic synthesis for developing other biologically active compounds.

Interaction Studies of 1000341-81-0

Interaction studies have indicated that 4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine interacts with cannabinoid receptors CB1 and CB2. These interactions are crucial for understanding its pharmacological profile and potential therapeutic uses. Studies have demonstrated that modifications to its structure can significantly alter its binding affinity and efficacy at these receptors, highlighting the importance of structure-activity relationships in drug design.

Biological Activity of 1000341-81-0

This compound exhibits significant biological activity, particularly as a modulator of cannabinoid receptors. Research indicates that derivatives of 4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine can influence various physiological processes, making them potential candidates for therapeutic applications in treating diseases related to the endocannabinoid system. Its biological properties include anti-inflammatory effects and potential applications in neuropharmacology.

Physical sample testing spectrum (NMR) of 1000341-81-0

Physical sample testing spectrum (NMR) of 1000341-81-0