5-Bromo-2-chloroisonicotinic acid

Name: 5-Bromo-2-chloroisonicotinic acid
Brand: ChemScene
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CAS No. 886365-31-7
Cat. No. CS-W004954
Purity≥97%
MDL No.MFCD07375114

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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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5-Bromo-2-chloroisonicotinic acid|CS-W004954

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General Information

CAS No. 886365-31-7
Cat. No. CS-W004954
Purity ≥97%
MDL No. MFCD07375114
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClNO₂
Molecular Weight None
Synonym(s) 5-Bromo-2-chloropyridine-4-carboxylic acid
SMILES O=C(O)C1=C(Br)C=NC(Cl)=C1

Description

5-Bromo-2-chloroisonicotinic acid features a sterically accessible pyridine core bearing bromo and chloro substituents at the 5- and 2-positions, respectively. This electron-deficient heterocycle enables direct coupling in cross-coupling reactions and serves as a key scaffold for bioactive molecule synthesis under standard conditions.

Application

5-Bromo-2-chloroisonicotinic acid serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its dual halogenation at the 5- and 2-positions enables efficient cross-coupling reactions, particularly Suzuki and Stille couplings, with high functional group tolerance. The carboxylic acid moiety facilitates direct derivatization or incorporation into diverse scaffolds, including pyridine-based kinase inhibitors and antiviral agents. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step synthetic sequences requiring robust reactivity and predictable transformation pathways.

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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Computational Chemistry Data

TPSA 50.19
LogP 2.1957
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Bromo-2-chloroisonicotinic acid

CAS No. 886365-31-7

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