Methyl 3-Bromo-5-fluoro-4-pyridinecarboxylate

Name: Methyl 3-Bromo-5-fluoro-4-pyridinecarboxylate
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CAS No. 1214325-21-9
Cat. No. CS-0195277
Purity≥98%
MDL No.None

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Methyl 3-Bromo-5-fluoro-4-pyridinecarboxylate|CS-0195277

Structure of 1214325-21-9

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Description

Methyl 3-bromo-5-fluoro-4-pyridinecarboxylate features a pyridine core bearing strategically positioned bromo and fluoro substituents, enabling selective cross-coupling reactions. The methyl ester group provides a handle for downstream functionalization, while the electron-deficient ring enhances reactivity in transition metal-catalyzed transformations. This compound serves as a key intermediate in medicinal chemistry and materials synthesis.

Application

Methyl 3-bromo-5-fluoro-4-pyridinecarboxylate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogenation pattern. The bromo and fluoro substituents offer orthogonal reactivity for sequential functionalization, while the methyl ester facilitates downstream transformations. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for constructing complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 1214325-21-9
Cat. No. CS-0195277
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₂
Molecular Weight 234.02
Synonym(s) Methyl 3-bromo-5-fluoroisonicotinate
SMILES COC(=O)C1=C(C=NC=C1F)Br

Computational Chemistry Data

TPSA 39.19
LogP 1.7698
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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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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 3-Bromo-5-fluoro-4-pyridinecarboxylate

CAS No. 1214325-21-9

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