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CS-W001157 4
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1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile

  • CAS No. 944937-79-5

  • Cat. No. CS-W018255
  • Purity≥95%
  • MDL No.MFCD09763664

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

1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile|CS-W018255

Structure of 944937-79-5

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General Information

  • CAS No. 944937-79-5
  • Cat. No. CS-W018255
  • Purity ≥95%
  • MDL No. MFCD09763664
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃
  • Molecular Weight 143.15
  • Synonym(s) 6-Cyano-4-azaindole
  • SMILES N#CC1=CN=C2C(NC=C2)=C1

Description

1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile is a nitrogen-rich heterocycle featuring a conjugated system that enhances electron delocalization. The nitrile group at the 6-position provides a polar handle for downstream functionalization, while the fused pyrrole-pyridine core imparts planarity and rigidity. This compound serves as a key scaffold in medicinal chemistry and materials science due to its stability under standard conditions and favorable solubility in organic solvents.

Application

1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its pyrrolopyridine core provides a rigid, planar scaffold with enhanced π-stacking potential, while the nitrile group enables diverse transformations including hydrolysis, reduction, and nucleophilic addition. The compound exhibits good bench stability and facilitates efficient functionalization in standard coupling reactions, making it valuable for constructing complex molecular architectures in API development and organic electronic materials.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P280-P301+P330+P331

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   1.43458
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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