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6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

  • CAS No. 1260381-90-5

  • Cat. No. CS-0131078
  • Molecule weight177.59
  • Purity≥95%
  • MDL No.None

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

6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile|CS-0131078

Structure of 1260381-90-5

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General Information

  • CAS No. 1260381-90-5
  • Cat. No. CS-0131078
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClN₃
  • Molecular Weight 177.59
  • Synonym(s) 6-Chloro-3-cyano-5-azaindole
  • SMILES N#CC1=CNC2=C1C=NC(Cl)=C2

Description

6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile features a fused heterocyclic core with electron-deficient character, enabling efficient coupling in transition-metal-catalyzed reactions. The chlorine and nitrile groups serve as orthogonal handles for diversification, while the bench-stable scaffold supports modular synthesis in medicinal chemistry and materials science applications.

Application

6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyrrolopyridine-based scaffolds. The molecule features orthogonal functional groups—electron-deficient chlorine and nitrile—that facilitate palladium-catalyzed cross-coupling, nucleophilic substitution, and cyclization reactions. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry campaigns and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   2.08798
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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