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

Name: 3-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Brand: ChemScene
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CAS No. 1256806-34-4
Cat. No. CS-0161095
Molecule weight168.58
Purity≥98%
MDL No.MFCD18256431

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3-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one|CS-0161095

Structure of 1256806-34-4

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General Information

CAS No. 1256806-34-4
Cat. No. CS-0161095
Purity ≥98%
MDL No. MFCD18256431
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂O
Molecular Weight 168.58
Synonym(s) 3-Chloro-6,7-dihydro-pyrrolo[3,4-b]pyridin-5-one（WS201322）
SMILES O=C1NCC2=NC=C(Cl)C=C21

Description

3-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one is a heterocyclic scaffold featuring a chlorinated pyrrolopyridinone core with enhanced electron-deficient character. This structure integrates readily into medicinal chemistry campaigns, offering high reactivity at the carbonyl position and stability under standard bench conditions. The fused ring system supports efficient functionalization, enabling rapid access to complex analogs in target-oriented synthesis.

Application

3-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one serves as a versatile building block in medicinal chemistry, enabling the construction of nitrogen-rich heterocyclic scaffolds. Its well-defined reactivity profile facilitates nucleophilic substitution at the C3-chloro position and supports further functionalization via Pd-catalyzed coupling reactions. The compound exhibits bench stability and compatibility with standard purification methods, making it suitable for high-throughput synthesis and process development workflows.

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 41.99
LogP 0.9784
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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

CAS No. 1256806-34-4

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