Imidazo[1,2-a]pyridine-3-carboxaldehyde,6-chloro- (29096-59-1)

The 6-Chloroimidazo[1,2-a]pyridine-3-carbaldehyde, with the CAS registry number 29096-59-1, is also called imidazo[1,2-a]pyridine-3-carboxaldehyde, 6-chloro-. And the molecular formula of the chemical is C₈H₅ClN₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 141; (8)ACD/KOC (pH 7.4): 141; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37 Ų; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 46.775 cm³; (15)Molar Volume: 126.344 cm³; (16)Polarizability: 18.543×10^-24cm³; (17)Surface Tension: 53.707 dyne/cm; (18)Density: 1.429 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cnc2ccc(Cl)cn12
(2)InChI: InChI=1/C8H5ClN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-5H
(3)InChIKey: FSRZPMAKLOSLMT-UHFFFAOYAE