2-bromo-6-chloropyridin-3-amine (1050501-88-6)

The 2-Bromo-6-chloro-3-pyridinamine, with the CAS registry number 1050501-88-6, has the systematic name and IUPAC name of 2-bromo-6-chloro-pyridin-3-amine. And it is also called 3-Amino-2-bromo-6-chloropyridine. The molecular formula of the chemical is C₅H₄BrClN₂.

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)Polarizability: 16.319×10^-24cm³; (17)Surface Tension: 59.181 dyne/cm; (18)Density: 1.835 g/cm³; (19)Flash Point: 153.537 °C; (20)Enthalpy of Vaporization: 57.282 kJ/mol; (21)Boiling Point: 330.261 °C at 760 mmHg; (22)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