2-Chloro-3-fluoro-5-nitropyridine

Name: 2-Chloro-3-fluoro-5-nitropyridine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1079179-12-6
Cat. No. CS-W003883
Purity≥98%
MDL No.MFCD16659664

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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-Chloro-3-fluoro-5-nitropyridine|CS-W003883

Structure of 1079179-12-6

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General Information

CAS No. 1079179-12-6
Cat. No. CS-W003883
Purity ≥98%
MDL No. MFCD16659664
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₂ClFN₂O₂
Molecular Weight 176.53
Synonym(s) None
SMILES [O-][N+](=O)c1cnc(c(c1)F)Cl

Description

2-Chloro-3-fluoro-5-nitropyridine features a trifunctional pyridine core with complementary electrophilic and electron-withdrawing groups. This configuration enables selective coupling reactions in medicinal chemistry, where the chlorine and fluorine atoms serve as orthogonal handles for cross-coupling or nucleophilic substitution under standard conditions.

Application

2-Chloro-3-fluoro-5-nitropyridine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The chloro and fluoro groups facilitate sequential functionalization, while the nitro group provides a handle for reduction and subsequent heterocycle elaboration. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing complex pyridine-based scaffolds in API development.

Synthesis

Route1
- In-stock
  
  1033202-14-0
- ~96%
- In-stock
  
  1079179-12-6
References
- Gruenenthal GmbH; FRANK, Robert; Christoph, Thomas; Lesch, Bernhard; Lee, Jeewoo Patent: US2013/29961 A1, 2013 ; Location in patent: Paragraph 0656 ;

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 56.03
LogP 1.7823
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Chloro-3-fluoro-5-nitropyridine

CAS No. 1079179-12-6

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