2-Bromo-6-methylisonicotinonitrile

Name: 2-Bromo-6-methylisonicotinonitrile
Brand: ChemScene
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CAS No. 25462-99-1
Cat. No. CS-0377034
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Bromo-6-methylisonicotinonitrile|CS-0377034

Structure of 25462-99-1

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Description

2-Bromo-6-methylisonicotinonitrile features a strategically positioned nitrile group flanked by bromine and methyl substituents on a pyridine core, enabling direct functionalization in cross-coupling reactions. This electron-deficient heterocycle integrates readily into pharmaceutical intermediates and agrochemical scaffolds under standard conditions.

Application

2-Bromo-6-methylisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitrile functionalities. The methyl group provides steric and electronic modulation, while the nitrile facilitates downstream transformations such as hydrolysis or cyclization. Bench-stable and readily purified by recrystallization, it functions effectively in the synthesis of heterocyclic scaffolds and functionalized arenes relevant to API development.

General Information

CAS No. 25462-99-1
Cat. No. CS-0377034
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrN₂
Molecular Weight 197.03
Synonym(s) None
SMILES N#CC1=CC(Br)=NC(C)=C1

Computational Chemistry Data

TPSA 36.68
LogP 2.0242
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Bromo-6-methylisonicotinonitrile

CAS No. 25462-99-1

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