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The 2-Pyridinamine,5-bromo-4-chloro-, with the CAS registry number 942947-94-6, has the systematic name of 5-bromo-4-chloro-pyridin-2-amine. It belongs to the product category of Amino-pyridine series. And the molecular formula of the chemical is C5H4BrClN2.
The characteristics of 2-Pyridinamine,5-bromo-4-chloro- are as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.573; (4)ACD/LogD (pH 7.4): 2.578; (5)ACD/BCF (pH 5.5): 52.945; (6)ACD/BCF (pH 7.4): 53.613; (7)ACD/KOC (pH 5.5): 594.235; (8)ACD/KOC (pH 7.4): 601.737; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 41.165 cm3; (15)Molar Volume: 113.073 cm3; (16)Polarizability: 16.319×10-24cm3; (17)Surface Tension: 59.181 dyne/cm; (18)Density: 1.835 g/cm3; (19)Flash Point: 118.038 °C; (20)Enthalpy of Vaporization: 50.98 kJ/mol; (21)Boiling Point: 271.564 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(c(cnc1N)Br)Cl
(2)InChI: InChI=1/C5H4BrClN2/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H2,8,9)
(3)InChIKey: DDOFUMWLNSICHU-UHFFFAOYAP