structure of 4-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carbaldehyde

4-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carbaldehyde

CAS No.: 1000340-35-1
M. Wt: 225.042
M. Fa: C8H5BrN2O
InChI Key: GVJOYNDJFISGTG-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000340-35-1

CAS Number

1000340-35-1

MDL Number

MFCD09880126

IUPAC Name

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

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)

InChIKey

GVJOYNDJFISGTG-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1Br)C(=CN2)C=O

UNSPSC Code

12352100

Physical and chemical properties of 1000340-35-1

Acidity coefficient

11.45±0.40(Predicted)

Boiling Point

416.668ºC at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

223.958511

Flash Point

205.794ºC

Index of Refraction

1.769

LogP

1.88

Molecular Formula

C8H5BrN2O

Molecular Weight

225.042

PSA

45.75000

Storage condition

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

Safety Information of 1000340-35-1

Pictograms

Signal Word

 Warning

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

Applications of 1000340-35-1

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has potential applications in:

  • Pharmaceutical Development: Its structural features may contribute to the design of new drugs targeting various diseases.
  • Organic Synthesis: It serves as an important intermediate for synthesizing more complex heterocyclic compounds.
  • Material Science: Potential use in developing new materials with specific electronic or optical properties.

Physical sample testing spectrum (NMR) of 1000340-35-1

Physical sample testing spectrum (NMR) of 1000340-35-1

Retrosynthesis analysis of 1000340-35-1

  • Route#1

    Cas:1198277-82-5
    Cas:100-97-0
    Cas:1000340-35-1