Methyl 6-bromo-4-chloronicotinate

Name: Methyl 6-bromo-4-chloronicotinate
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CAS No. 1256789-73-7
Cat. No. CS-W022874
Purity≥95%
MDL No.None

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Methyl 6-bromo-4-chloronicotinate|CS-W022874

Structure of 1256789-73-7

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General Information

CAS No. 1256789-73-7
Cat. No. CS-W022874
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrClNO₂
Molecular Weight 250.48
Synonym(s) methyl 6-bromo-4-chloropyridine-3-carboxylate
SMILES O=C(OC)C1=CN=C(Br)C=C1Cl

Description

Methyl 6-bromo-4-chloronicotinate is a bench-stable, electron-deficient heterocyclic ester featuring strategically positioned halogens at the 6- and 4-positions of the nicotinate ring. This configuration enables direct cross-coupling reactions and facilitates downstream functionalization in medicinal chemistry and materials synthesis.

Application

Methyl 6-bromo-4-chloronicotinate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The ortho-chloro and meta-bromo substituents provide regioselective functionalization options, while the methyl ester group supports further transformations. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient access to complex pyridine-based scaffolds relevant to medicinal chemistry and agrochemical development.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 39.19
LogP 2.2841
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 6-bromo-4-chloronicotinate

CAS No. 1256789-73-7

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