The 2-Pyridinamine,3-bromo-5-(trifluoromethyl)-, with the CAS registry number of 79456-30-7, is also known as 2-Amino-3-bromo-5-(trifluoromethyl)-pyridine. This chemical's molecular formula is C6H4BrF3N2. What's more, both its IUPAC name and systematic name is 3-bromo-5-(trifluoromethyl)pyridin-2-amine.
Physical properties about the 2-Pyridinamine,3-bromo-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 84; (6)ACD/BCF (pH 7.4): 84; (7)ACD/KOC (pH 5.5): 829; (8)ACD/KOC (pH 7.4): 829; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 41.25 cm3; (15)Molar Volume: 134.633 cm3; (16)Surface Tension: 38.314 dyne/cm; (17)Density: 1.79 g/cm3; (18)Flash Point: 87.883 °C; (19)Enthalpy of Vaporization: 45.815 kJ/mol; (20)Boiling Point: 221.703 °C at 760 mmHg; (21)Vapour Pressure: 0.106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(cnc1N)C(F)(F)F
(2) InChI: InChI=1/C6H4BrF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
(3) InChIKey:KBNACDZKKVMULE-UHFFFAOYAN
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