{5-methylimidazo[1,2-a]pyridin-3-yl}methanol

• ChemBase编号: 143668
• 分子式: C9H10N2O
• 平均质量: 162.1885
• 单一同位素质量: 162.07931295
• SMILES: Cc1cccc2n1c(cn2)CO
• Canonical SMILES: OCc1cnc2n1c(C)ccc2
• InChI: InChI=1S/C9H10N2O/c1-7-3-2-4-9-10-5-8(6-12)11(7)9/h2-5,12H,6H2,1H3
• InChIKey: MVDFZQQVFPAFCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {5-methylimidazo[1,2-a]pyridin-3-yl}methanol
• IUPAC传统名: {5-methylimidazo[1,2-a]pyridin-3-yl}methanol
• 别名: (5-Methylimidazo[1,2-a]pyridin-3-yl)methanol; (5-methylimidazo[1,2-a]pyridin-3-yl)methanol

登记号

• CAS号: 178488-39-6
• MDL号: MFCD09864459
• PubChem SID: 162237885
• PubChem CID: 10844723

理论计算性质

• Acid pKa: 14.509432
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.4851208
• LogD (pH = 7.4): 0.09023876
• Log P: 0.11176211
• 摩尔折射率: 47.7795 cm^3
• 极化性: 17.503977 Å^3
• 极化表面积: 37.53 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C9H10N2O

详细说明

Sigma Aldrich - CBR00499

Other Notes
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