3H-Imidazo[4,5-b]pyridine,2,5-dichloro- (438190-90-0)

The 2,5-Dichloro-1H-imidazo[4,5-b]pyridine, with CAS registry number 438190-90-0, belongs to the following product categories: CHIRAL CHEMICALS. It has the systematic name of 2,5-dichloro-3H-imidazo[4,5-b]pyridine. And it is also called 1H-imidazo[4,5-b]pyridine, 2,5-dichloro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 116; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 44.501 cm³; (15)Molar Volume: 112.221 cm³; (16)Polarizability: 17.642×10^-24cm³; (17)Surface Tension: 75.454 dyne/cm; (18)Enthalpy of Vaporization: 62.743 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1ccc2nc(Cl)nc2n1
(2)InChI: InChI=1/C6H3Cl2N3/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H,9,10,11)
(3)InChIKey: CKQVHGHQFAOFNJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H3Cl2N3/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H,9,10,11)
(5)Std. InChIKey: CKQVHGHQFAOFNJ-UHFFFAOYSA-N