3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

• ChemBase编号: 308178
• 分子式: C9H7FN2O2
• 平均质量: 194.1624832
• 单一同位素质量: 194.04915569
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)O
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)O
• InChI: InChI=1S/C9H7FN2O2/c1-5-2-3-12-6(4-5)11-7(8(12)10)9(13)14/h2-4H,1H3,(H,13,14)
• InChIKey: QGTMCQZLKZQARU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• IUPAC传统名: 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• 别名: 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

登记号

• CAS号: 696632-07-2
• MDL号: MFCD04061254

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.19211507
• LogD (pH = 7.4): -1.8272018
• Log P: 1.1582701
• 摩尔折射率: 48.0327 cm^3
• 极化性: 17.192558 Å^3
• 极化表面积: 54.6 Å^2