3-Bromo-4-methylpicolinonitrile

Name: 3-Bromo-4-methylpicolinonitrile
Brand: ChemScene
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CAS No. 717843-45-3
Cat. No. CS-0153650
Purity≥98%
MDL No.MFCD12761209

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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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3-Bromo-4-methylpicolinonitrile|CS-0153650

Structure of 717843-45-3

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Description

3-Bromo-4-methylpicolinonitrile features a bromine substituent at the 3-position and a methyl group at the 4-position on the picolinonitrile core, delivering enhanced reactivity in cross-coupling transformations. The electron-deficient nitrile moiety enables efficient coupling with palladium catalysts, while the sterically accessible site facilitates rapid functionalization under standard conditions. This bench-stable derivative serves as a key intermediate for heterocyclic scaffolds in medicinal chemistry.

Application

3-Bromo-4-methylpicolinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo and nitrile functionalities. The methyl group enhances regioselectivity in electrophilic substitution, while the nitrile group offers compatibility with nucleophilic additions and subsequent transformations. Its bench-stable nature and ease of purification support efficient synthesis of heterocyclic scaffolds and API intermediates.

General Information

CAS No. 717843-45-3
Cat. No. CS-0153650
Purity ≥98%
MDL No. MFCD12761209
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrN₂
Molecular Weight 197.03
Synonym(s) None
SMILES CC1=C(C(=NC=C1)C#N)Br

Computational Chemistry Data

TPSA 36.68
LogP 2.0242
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Bromo-4-methylpicolinonitrile

CAS No. 717843-45-3

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