imidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide

• ChemBase编号: 310323
• 分子式: C8H7BrN2O2
• 平均质量: 243.05738
• 单一同位素质量: 241.96908947
• SMILES: c1(nc2n(c1)cccc2)C(=O)O.Br
• Canonical SMILES: OC(=O)c1nc2n(c1)cccc2.Br
• InChI: InChI=1S/C8H6N2O2.BrH/c11-8(12)6-5-10-4-2-1-3-7(10)9-6;/h1-5H,(H,11,12);1H
• InChIKey: UBSBABRHGOKSSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: imidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide
• IUPAC传统名: imidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide
• 别名: imidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.2515572
• LogD (pH = 7.4): -2.5424895
• Log P: -0.78894603
• 摩尔折射率: 42.8206 cm^3
• 极化性: 15.66232 Å^3
• 极化表面积: 54.6 Å^2