Imidazo[1,2-a]pyridine-2-carboxylicacid, 5-methyl- (88751-06-8)

The Imidazo[1,2-a]pyridine-2-carboxylicacid, 5-methyl-, with the CAS registry number 88751-06-8, has the systematic name of 5-methylimidazo[1,2-a]pyridine-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈N₂O₂.

The characteristics of Imidazo[1,2-a]pyridine-2-carboxylicacid, 5-methyl- are as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 47.44 cm³; (15)Molar Volume: 129.5 cm³; (16)Polarizability: 18.81×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.35 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1nc2cccc(n2c1)C
(2)InChI: InChI=1/C9H8N2O2/c1-6-3-2-4-8-10-7(9(12)13)5-11(6)8/h2-5H,1H3,(H,12,13)
(3)InChIKey: ITABKLPNHAGZEG-UHFFFAOYAY