3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid

• ChemBase编号: 309666
• 分子式: C9H7FN2O2
• 平均质量: 194.1624832
• 单一同位素质量: 194.04915569
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)O
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)O
• InChI: InChI=1S/C9H7FN2O2/c1-5-2-3-6-11-7(9(13)14)8(10)12(6)4-5/h2-4H,1H3,(H,13,14)
• InChIKey: XHUKVCICDHOTLL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• IUPAC传统名: 3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• 别名: 3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid

登记号

• MDL号: MFCD08700330

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.19329245
• LogD (pH = 7.4): -1.8261964
• Log P: 1.0626147
• 摩尔折射率: 48.0327 cm^3
• 极化性: 17.191004 Å^3
• 极化表面积: 54.6 Å^2