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2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

  • CAS No. 1256811-82-1

  • Cat. No. CS-0139624
  • Purity≥97%
  • MDL No.None

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

2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one|CS-0139624

Structure of 1256811-82-1

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General Information

  • CAS No. 1256811-82-1
  • Cat. No. CS-0139624
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O
  • Molecular Weight 168.58
  • Synonym(s) None
  • SMILES O=C1NCC2=NC(Cl)=CC=C21

Description

2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one is a heterocyclic building block featuring a chlorinated pyrrolopyridinone core. This electron-deficient scaffold integrates readily into medicinal chemistry campaigns, offering high reactivity at the C5 carbonyl and favorable stability under standard conditions. Its fused ring system enables precise spatial control in target-directed synthesis.

Application

2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one serves as a versatile building block for the synthesis of biologically relevant heterocycles. Its electrophilic chlorine at C2 enables facile nucleophilic substitution, while the enaminone functionality supports diverse transformations. The compound exhibits good bench stability and compatibility with standard coupling reactions, facilitating efficient access to complex scaffolds in medicinal chemistry campaigns.

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   41.99
  • LogP   0.9784
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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