6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid (903129-78-2)

The 6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid, with the CAS registry number 903129-78-2, is also called Imidazo[1,2-a]pyridine-8-carboxylic acid, 6-bromo-, or Bromoimidazopyridinecarboxylic acid. And the molecular formula of the chemical is C₈H₅BrN₂O₂.

The characteristics of 6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å²; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 50.583 cm³; (13)Molar Volume: 126.935 cm³; (14)Polarizability: 20.053×10^-24cm³; (15)Surface Tension: 66.435 dyne/cm; (16)Density: 1.899 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cn2cc(cc(c2n1)C(=O)O)Br
(2)InChI: InChI=1/C8H5BrN2O2/c9-5-3-6(8(12)13)7-10-1-2-11(7)4-5/h1-4H,(H,12,13)
(3)InChIKey: XPFDJWFDQORPQO-UHFFFAOYAY