Methyl 6-bromo-5-fluoronicotinate

Name: Methyl 6-bromo-5-fluoronicotinate
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CAS No. 1214336-88-5
Cat. No. CS-0081032
Purity≥98%
MDL No.MFCD14698110

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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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Methyl 6-bromo-5-fluoronicotinate|CS-0081032

Structure of 1214336-88-5

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General Information

CAS No. 1214336-88-5
Cat. No. CS-0081032
Purity ≥98%
MDL No. MFCD14698110
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₂
Molecular Weight 234.02
Synonym(s) 6-BroMo-5-fluoro-nicotinic acid Methyl ester
SMILES COC(C1=CN=C(Br)C(F)=C1)=O

Description

Methyl 6-bromo-5-fluoronicotinate is a halogenated pyridine ester featuring bromine at the 6-position and fluorine at the 5-position, enabling selective functionalization in cross-coupling reactions. This electron-deficient heterocycle integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 6-bromo-5-fluoronicotinate serves as a versatile building block for the synthesis of fluorinated heterocycles and pharmaceutical intermediates. Its dual halogenation pattern enables sequential cross-coupling reactions, including Suzuki-Miyaura and Stille couplings, with high chemoselectivity. The methyl ester group facilitates downstream transformations such as hydrolysis or reduction. Bench-stable and compatible with standard reaction conditions, it functions reliably in medicinal chemistry and process development workflows.

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 1.7698
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-5-fluoronicotinate

CAS No. 1214336-88-5

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