2-Bromo-5-fluoro-4-nitropyridine

Name: 2-Bromo-5-fluoro-4-nitropyridine
Brand: ChemScene
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CAS No. 1805578-52-2
Cat. No. CS-0146037
Molecule weight220.98
Purity≥97%
MDL No.MFCD28740491

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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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2-Bromo-5-fluoro-4-nitropyridine|CS-0146037

Structure of 1805578-52-2

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General Information

CAS No. 1805578-52-2
Cat. No. CS-0146037
Purity ≥97%
MDL No. MFCD28740491
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₂BrFN₂O₂
Molecular Weight 220.98
Synonym(s) None
SMILES O=[N+](C1=CC(Br)=NC=C1F)[O-]

Description

2-Bromo-5-fluoro-4-nitropyridine features a trifunctional pyridine core enabling sequential functionalization in synthetic pathways. The electron-deficient aromatic ring supports palladium-catalyzed cross-coupling, while the bromo and fluoro substituents offer orthogonal reactivity for modular derivatization. This compound serves as a key intermediate in medicinal chemistry campaigns targeting heterocyclic scaffolds with enhanced metabolic stability.

Application

2-Bromo-5-fluoro-4-nitropyridine serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The nitro group facilitates subsequent reduction and cyclization pathways, while the fluorine substituent supports nucleophilic aromatic substitution under mild conditions. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative medicinal chemistry campaigns and API intermediate 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 56.03
LogP 1.8914
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Bromo-5-fluoro-4-nitropyridine

CAS No. 1805578-52-2

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