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The 2-Bromo-6-chloro-3-pyridinamine, with the CAS registry number 1050501-88-6, is also known as 3-Pyridinamine, 2-bromo-6-chloro-. This chemical's molecular formula is C5H4BrClN2 and molecular weight is 207.45566. Its IUPAC name is called 2-bromo-6-chloro-pyridin-3-amine.
The characteristics of 2-Bromo-6-chloro-3-pyridinamine are as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.193; (4)ACD/LogD (pH 7.4): 2.193; (5)ACD/BCF (pH 5.5): 27.334; (6)ACD/BCF (pH 7.4): 27.334; (7)ACD/KOC (pH 5.5): 371.538; (8)ACD/KOC (pH 7.4): 371.539; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (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)Surface Tension: 59.181 dyne/cm; (17)Density: 1.835 g/cm3; (18)Flash Point: 153.537 °C; (19)Enthalpy of Vaporization: 57.282 kJ/mol; (20)Boiling Point: 330.261 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(nc(c1N)Br)Cl
(2)InChI: InChI=1/C5H4BrClN2/c6-5-3(8)1-2-4(7)9-5/h1-2H,8H2
(3)InChIKey: OPKKXWUGXHSFQI-UHFFFAOYAY