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5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

  • CAS No. 1190317-45-3

  • Cat. No. CS-0042023
  • Molecule weight222.04
  • Purity≥96%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile|CS-0042023

Structure of 1190317-45-3

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General Information

  • CAS No. 1190317-45-3
  • Cat. No. CS-0042023
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrN₃
  • Molecular Weight 222.04
  • Synonym(s) 5-Bromo-6-cyano-7-azaindole
  • SMILES N#CC1=C(Br)C=C2C(NC=C2)=N1

Description

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is a heteroaromatic building block featuring a bromine atom and a nitrile group at adjacent positions on the pyrrolo[2,3-b]pyridine core. This combination enables efficient cross-coupling reactions and facilitates further functionalization in medicinal chemistry and materials science applications.

Application

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo and nitrile functionalities. The molecule exhibits excellent bench stability and facilitates efficient functionalization at the pyrrolopyridine core, supporting the construction of complex scaffolds relevant to medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   2.19708
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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