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

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

CAS No.: 1000341-85-4
M. Wt: 322.928
M. Fa: C7H4BrIN2
InChI Key: ZKOMIJRCTWMILJ-UHFFFAOYSA-N

Names and Identifiers of 1000341-85-4

CAS Number

1000341-85-4

MDL Number

MFCD09749993

IUPAC Name

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

InChI

InChI=1S/C7H4BrIN2/c8-7-6-4(9)3-11-5(6)1-2-10-7/h1-3,11H

InChIKey

ZKOMIJRCTWMILJ-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C(C2=C1NC=C2I)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000341-85-4

Boiling Point

438.7±40.0 °C at 760 mmHg

Density

2.4±0.1 g/cm3

Exact Mass

321.860229

Flash Point

219.1±27.3 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.804

LogP

2.49

Molecular Formula

C7H4BrIN2

Molecular Weight

322.928

PSA

28.68000

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 1000341-85-4

Pictograms

Signal Word

 Warning

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

Applications of 1000341-85-4

4-Bromo-3-iodo-1H-pyrrolo[3,2-c]pyridine serves as a crucial intermediate in the synthesis of various pharmaceutical compounds. Its applications include:

  • Drug Development: As a building block for synthesizing novel anticancer agents and other therapeutics.
  • Material Science: Potential uses in developing advanced materials due to its unique electronic properties.
  • Research Tool: Utilized in studies exploring structure-activity relationships within related chemical classes .

Interaction Studies of 1000341-85-4

Interaction studies involving 4-Bromo-3-iodo-1H-pyrrolo[3,2-c]pyridine focus on its binding affinity to biological targets, particularly enzymes and receptors relevant to disease pathways. These studies often employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific protein targets.
  • In Vitro Assays: To evaluate biological activity against cancer cell lines or other relevant models .

Biological Activity of 1000341-85-4

Research indicates that 4-Bromo-3-iodo-1H-pyrrolo[3,2-c]pyridine exhibits promising biological activities. Its structural features suggest potential applications in drug development, particularly as an anticancer agent. The compound's ability to interact with biological targets may be influenced by its unique electronic properties due to the halogen substituents . Studies have shown that related compounds with similar scaffolds have demonstrated activity against various cancer cell lines, highlighting the importance of this compound in medicinal chemistry .