6-(2H3)methyl-2-(4-methylphenyl)(5,7,8-2H3)imidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase编号: 179670
• 分子式: C16H14N2O
• 平均质量: 250.29516
• 单一同位素质量: 250.11061308
• SMILES: c1cc(cn2c1nc(c2C=O)c1ccc(cc1)C)C
• Canonical SMILES: O=Cc1c(nc2n1cc(C)cc2)c1ccc(cc1)C
• InChI: InChI=1S/C16H14N2O/c1-11-3-6-13(7-4-11)16-14(10-19)18-9-12(2)5-8-15(18)17-16/h3-10H,1-2H3
• InChIKey: VJLDYAKVOYGTDL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(^2H₃)methyl-2-(4-methylphenyl)(5,7,8-^2H₃)imidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC传统名: 6-(^2H₃)methyl-2-(4-methylphenyl)(5,7,8-^2H₃)imidazo[1,2-a]pyridine-3-carbaldehyde
• 别名: 6-Methyl-2-(4-methylphenyl)-imidazo[1,2-a]pyridine-3-carboxaldehyde-d6; 6-Methyl-2-p-tolylimidazo[1,2-a]pyridine-3-carbaldehyde-d6; Zolpidem Carbaldehyde-d6

登记号

• PubChem SID: 164235580
• PubChem CID: 71753033

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.4186463
• LogD (pH = 7.4): 3.4515345
• Log P: 3.4519713
• 摩尔折射率: 77.2445 cm^3
• 极化性: 29.81525 Å^3
• 极化表面积: 34.37 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - Z650032

A labelled impurity of Zolpidem (Z650000).