4-(DIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID


Chemical Name: 4-(DIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
CAS Number: 1256804-49-5
Product Number: AG000OE3(AGN-PC-0WAKV1)
Synonyms:
MDL No:
Molecular Formula: C7H5F2NO2
Molecular Weight: 173.1169

Identification/Properties


Computed Properties
Molecular Weight:
173.119g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
173.029g/mol
Monoisotopic Mass:
173.029g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-(Difluoromethyl)picolinic acid is a valuable compound widely used in chemical synthesis due to its versatile reactivity and unique properties. This compound serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and materials.Its strong electron-withdrawing difluoromethyl group enhances the acidity of the pyridine ring, making it a potent ligand in transition metal-catalyzed reactions. Additionally, the presence of the fluorine atoms enables selective manipulation of aromatic rings, leading to regioselective functionalization of the molecule.In organic synthesis, 4-(Difluoromethyl)picolinic acid acts as a powerful directing group, promoting specific reactions at the site of the fluorine substitution. By utilizing its unique reactivity, chemists can efficiently access complex molecular architectures with high selectivity and yield.Overall, the application of 4-(Difluoromethyl)picolinic acid in chemical synthesis allows for the rapid construction of diverse chemical entities with tailored properties, making it an indispensable tool in modern organic chemistry.