2-Chloro-3-methylisonicotinonitrile

Name: 2-Chloro-3-methylisonicotinonitrile
Brand: ChemScene
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CAS No. 1195189-83-3
Cat. No. CS-W021642
Purity≥98%
MDL No.None

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-Chloro-3-methylisonicotinonitrile|CS-W021642

Structure of 1195189-83-3

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Description

2-Chloro-3-methylisonicotinonitrile features a trifunctional pyridine core with chlorine, methyl, and nitrile groups positioned for orthogonal reactivity. This electron-deficient heterocycle integrates readily into synthetic scaffolds requiring regioselective functionalization under mild conditions.

Application

2-Chloro-3-methylisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Its ortho-chloro and nitrile functionalities offer complementary reactivity for late-stage functionalization, while the methyl group enhances metabolic stability. Bench-stable and readily purified by recrystallization, it facilitates efficient synthesis of pyridine-based scaffolds relevant to pharmaceutical development.

General Information

CAS No. 1195189-83-3
Cat. No. CS-W021642
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂
Molecular Weight 152.58
Synonym(s) 2-chloro-3-methylpyridine-4-carbonitrile
SMILES N#CC1=CC=NC(Cl)=C1C

Computational Chemistry Data

TPSA 36.68
LogP 1.9151
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Chloro-3-methylisonicotinonitrile

CAS No. 1195189-83-3

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