31776-83-7

Basic information

• Product Name: 2-CHLORO-6-(4-FLUOROPHENYL)NICOTINONITRILE
• Synonyms: 2-CHLORO-6-(4-FLUOROPHENYL)PYRIDINE-3-CARBONITRILE;2-CHLORO-6-(4-FLUOROPHENYL)NICOTINONITRILE;2-Chloro-3-cyano-6-(4-fluorophenyl)pyridine;2-chloro-6-(4-fluorophenyl)nicotinonitrile (en);2-chloro-6-(4-fluorophenyl)-3-Pyridinecarbonitrile;3-Pyridinecarbonitrile, 2-chloro-6-(4-fluorophenyl)-;2-Chloro-6-(4-fluorophenyl)nicotinonitrile97%
• CAS NO: 31776-83-7
• Molecular Formula: C₁₂H₆ClFN₂
• Molecular Weight: 232.64
• Mol File: 31776-83-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 173-176°C
• Boiling Point: 373.3°Cat760mmHg
• Flash Point: 179.5°C
• Appearance: /
• Density: 1.37g/cm³
• Vapor Pressure: 9.07E-06mmHg at 25°C
• Refractive Index: 1.612
• Storage Temp.: 2-8°C
• PKA: -3.55±0.25(Predicted)
• CAS DataBase Reference: 2-CHLORO-6-(4-FLUOROPHENYL)NICOTINONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-6-(4-FLUOROPHENYL)NICOTINONITRILE(31776-83-7)
• EPA Substance Registry System: 2-CHLORO-6-(4-FLUOROPHENYL)NICOTINONITRILE(31776-83-7)

Safety Data

• Hazard Codes: Xi,T
• Statements: 20/21/22-36/37/38-25
• Safety Statements: 26-36/37/39-45
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 31776-83-7(Hazardous Substances Data)

Usage

General Description

"2-Chloro-6-(4-fluorophenyl)nicotinonitrile" is a specialized chemical compound characterized by the presence of a chloro group and a fluorophenyl group attached to a nicotinonitrile base molecule. It is notable for its complex structure that consists of carbon-nitrogen triple bond, chlorine, and fluorine atoms, which may implicate certain chemical properties, including reactivity, polarity, and molecular interactions. The potential applications of this compound could be diverse, considering the properties of its component groups; however, specific uses and safety protocols would depend on further research and exploration. Currently, detailed information regarding this compound, such as its physical and chemical properties, toxicity, or uses, isn't readily available in public databases, marking it as an area ripe for exploration in terms of both academic and industrial chemical research.

InChI:InChI=1/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 68-12-2 N,N-dimethyl-formamide 
• 109-77-3 malononitrile 
• 25569-77-1 4-fluorobenzoic anhydride 
• 1765-93-1 4-fluoroboronic acid 
• 40381-90-6 2,6-dichloro-3-pyridinecarbonitrile 

Downstream Products

• 132602-18-7 3-Amino-6-(4-fluoro-phenyl)-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester 
• 1013647-72-7 2-(2-chlorophenoxy)-6-(4-fluorophenyl)nicotinonitrile 

Relevant articles and documents

INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 AND TDO) AND THEIR USE IN THERAPY

Pharmaceutical compositions comprising 3-aminoisoxazolopyridine compounds of the Formula I having IDO1 and/or TDO inhibitory activity are described, where W is CR1, N or N-oxide; X is CR2, N or N-oxide; Y is CR3, N or N-ox

Synthesis and structure-activity relationship studies of 2-(1,3,4-oxadiazole-2(3H)-thione)-3-amino-5-arylthieno[2,3-b]pyridines as inhibitors of DRAK2

In recent years, DAPK-related apoptosis-inducing protein kinase 2 (DRAK2) has emerged as a promising target for the treatment of a variety of autoimmune diseases and for the prevention of graft rejection after organ transplantation. However, medicinal chemistry optimization campaigns for the discovery of novel small-molecule inhibitors of DRAK2 have not yet been published. Screening of a proprietary compound library led to the discovery of a benzothiophene analogue that displays an affinity constant (Kd) value of 0.25 μM. Variation of the core scaffold and of the substitution pattern afforded a series of 5-arylthieno[2,3-b]pyridines with strong binding affinity (Kd=0.008 μM for the most potent representative). These compounds also show promising activity in a functional biochemical DRAK2 enzyme assay, with an IC50 value of 0.029 μM for the most potent congener. Selectivity profiling of the most potent compounds revealed that they lack selectivity within the DAPK family of kinases. However, one of the less potent analogues is a selective ligand for DRAK2 and can be used as starting point for the synthesis of selective and potent DRAK2 inhibitors.

A convenient method for the synthesis of 3,5,6-trisubstituted-2- chloropyridines with bis-(trichloromethyl) carbonate

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