6-Chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile

Name: 6-Chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
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CAS No. 1935287-10-7
Cat. No. CS-0163678
Purity≥97%
MDL No.None

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6-Chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile|CS-0163678

Structure of 1935287-10-7

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General Information

CAS No. 1935287-10-7
Cat. No. CS-0163678
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClN₄
Molecular Weight 178.58
Synonym(s) None
SMILES N#CC1=NNC2=NC(Cl)=CC=C21

Description

6-Chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile is a heterocyclic building block featuring a chlorinated pyrazolopyridine core with a pendant nitrile group. This combination delivers enhanced reactivity and electron-withdrawing character, enabling efficient incorporation into pharmaceutical intermediates and functional materials under standard conditions.

Application

6-Chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient construction of pyrazolopyridine scaffolds prevalent in medicinal chemistry. The molecule combines a reactive chloro group at C6 with an electron-withdrawing nitrile at C3, facilitating palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Its bench-stable nature and compatibility with diverse functional groups support streamlined synthesis of advanced intermediates for drug discovery programs.

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-P330-P362-P501

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Computational Chemistry Data

TPSA 65.36
LogP 1.48298
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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6-Chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile

CAS No. 1935287-10-7

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