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

• ChemBase编号: 143667
• 分子式: C9H10N2O
• 平均质量: 162.1885
• 单一同位素质量: 162.07931295
• SMILES: Cc1cccc2n1cc(n2)CO
• Canonical SMILES: OCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C9H10N2O/c1-7-3-2-4-9-10-8(6-12)5-11(7)9/h2-5,12H,6H2,1H3
• InChIKey: BIUQSIPXUVGMHC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 872363-02-5
• MDL号: MFCD05863392
• PubChem SID: 162237884
• PubChem CID: 821038

理论计算性质

• Acid pKa: 14.280351
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.14272662
• LogD (pH = 7.4): 0.26411507
• Log P: 0.27323288
• 摩尔折射率: 47.3798 cm^3
• 极化性: 17.504349 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 - CBR00356

Other Notes
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