5-Chloro-2-methoxynicotinonitrile

Name: 5-Chloro-2-methoxynicotinonitrile
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CAS No. 1256812-94-8
Cat. No. CS-0377320
Purity≥97%
MDL No.MFCD17214212

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5-Chloro-2-methoxynicotinonitrile|CS-0377320

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General Information

CAS No. 1256812-94-8
Cat. No. CS-0377320
Purity ≥97%
MDL No. MFCD17214212
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂O
Molecular Weight 168.58
Synonym(s) 5-Chloro-2-methoxypyridine-3-carbonitrile
SMILES N#CC1=CC(Cl)=CN=C1OC

Description

5-Chloro-2-methoxynicotinonitrile features a strategically positioned chloro group and methoxy substituent on the nicotinonitrile scaffold, enabling selective functionalization in synthetic sequences. This electron-deficient heterocycle integrates readily into pharmaceutical intermediates and agrochemical scaffolds under standard conditions.

Application

5-Chloro-2-methoxynicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via nucleophilic substitution and palladium-catalyzed coupling reactions. Its orthogonal functional groups—chloro, methoxy, and nitrile—facilitate sequential transformations with high chemoselectivity. The compound exhibits excellent bench stability and is readily purified by flash chromatography, making it well-suited for scale-up synthesis of API intermediates and advanced synthetic intermediates.

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-H312-H315-H319-H332-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 45.91
LogP 1.61528
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Chloro-2-methoxynicotinonitrile

CAS No. 1256812-94-8

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