3H-Imidazo[4,5-b]pyridine,5,7-dichloro- (24485-01-6)

The IUPAC name of 5,7-Dichloro-1H-imidazo[4,5-beta]pyridine is 5,7-Dichloro-1H-imidazo[4,5-b]pyridine. With the CAS registry number 24485-01-6, it is also named as 3H-Imidazo[4,5-b]pyridine,5,7-dichloro-. The product's category is chiral chemicals. In addition, its molecular formula is C₆H₃Cl₂N₃ and its molecular weight is 188.01. 

The other characteristics of 5,7-Dichloro-1H-imidazo[4,5-beta]pyridine can be summarized as: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 9.35; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 167.83; (8)ACD/KOC (pH 7.4): 22.59; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 44.5 cm³; (15)Molar Volume: 112.2 cm³; (16)Polarizability: 17.64×10^-24cm3; (17)Surface Tension: 75.4 dyne/cm; (18)Density: 1.675 g/cm³; (19)Flash Point: 238.4 °C; (20)Enthalpy of Vaporization: 64.42 kJ/mol; (21)Boiling Point: 416.9 °C at 760 mmHg; (22)Vapour Pressure: 8.95E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1c2c(nc(Cl)c1)ncn2
(2)InChI:InChI=1/C6H3Cl2N3/c7-3-1-4(8)11-6-5(3)9-2-10-6/h1-2H,(H,9,10,11)
(3)InChIKey:IKJFWUNKUZVHGU-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C6H3Cl2N3/c7-3-1-4(8)11-6-5(3)9-2-10-6/h1-2H,(H,9,10,11)
(5)Std. InChIKey:IKJFWUNKUZVHGU-UHFFFAOYSA-N