2-Pyridinecarboxylicacid, 3,5-difluoro- (745784-04-7)

The 3,5-Difluoropyridine-2-carboxylic acid, with the CAS registry number 745784-04-7, is also called 2-Pyridinecarboxylic acid, 3,5-difluoro-. It belongs to the following product categories: Halide; Glycinescaffold; Carboxylicacid; Pyridine series; Carboxylic Acids; Pyridines; Carboxylic Acids; Building Blocks; Pyridine. And the molecular formula of the chemical is C₆H₃F₂NO₂.

The characteristics of 3,5-Difluoropyridine-2-carboxylic acid are as followings: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -3.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 31.26 cm³; (15)Molar Volume: 103.6 cm³; (16)Polarizability: 12.39×10^-24cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.535 g/cm³; (19)Flash Point: 99.3 °C; (20)Enthalpy of Vaporization: 50.46 kJ/mol; (21)Boiling Point: 240.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0204 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(F)cnc1C(=O)O
(2)InChI: InChI=1/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
(3)InChIKey: QKLXAJQKMIWFRC-UHFFFAOYAQ