Imidazo[1,2-a]pyridine-3-carboxaldehyde,8-bromo-6-methyl- (1033202-08-2)

The 8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde, with CAS registry number 1033202-08-2, has the systematic name of 8-bromo-6-methyl-imidazo[1,2-a]pyridine-3-carbaldehyde. Besides this, it is also called imidazo[1,2-a]pyridine-3-carboxaldehyde, 8-bromo-6-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.462; (4)ACD/LogD (pH 7.4): 1.462; (5)ACD/BCF (pH 5.5): 7.602; (6)ACD/BCF (pH 7.4): 7.603; (7)ACD/KOC (pH 5.5): 148.652; (8)ACD/KOC (pH 7.4): 148.667; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.155 cm³; (15)Molar Volume: 144.872 cm³; (16)Polarizability: 21.469×10^-24cm³; (17)Surface Tension: 51.355 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c2ncc(n2c1)C=O)Br
(2)InChI: InChI=1/C9H7BrN2O/c1-6-2-8(10)9-11-3-7(5-13)12(9)4-6/h2-5H,1H3
(3)InChIKey: BUUMCTHNWPJIMU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H7BrN2O/c1-6-2-8(10)9-11-3-7(5-13)12(9)4-6/h2-5H,1H3
(5)Std. InChIKey: BUUMCTHNWPJIMU-UHFFFAOYSA-N