5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine

• ChemBase编号: 168700
• 分子式: C15H16N2O3
• 平均质量: 272.29914
• 单一同位素质量: 272.11609238
• SMILES: c1(ncc(cc1)CC)CCOc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: CCc1ccc(nc1)CCOc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C15H16N2O3/c1-2-12-3-4-13(16-11-12)9-10-20-15-7-5-14(6-8-15)17(18)19/h3-8,11H,2,9-10H2,1H3
• InChIKey: KGCCHRPMSPXKJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine
• IUPAC传统名: 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine
• 别名: 4-[2-(5-Ethyl-2-pyridinyl)ethoxy]nitrobenzene; 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine; 5-Ethyl-2-(2-(4-nitrophenoxy)ethyl)pyridine; 4-(2-(5-Ethyl-2-pyridyl)ethoxy)nitrobenzene

登记号

• CAS号: 85583-54-6
• PubChem SID: 162262832
• PubChem CID: 13314806

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.181785
• LogD (pH = 7.4): 3.5315843
• Log P: 3.538834
• 摩尔折射率: 75.1168 cm^3
• 极化性: 28.77208 Å^3
• 极化表面积: 65.26 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%; 98%

详细说明

Toronto Research Chemicals - E925225

Pioglitazone (P471000) impurity.

参考文献

• Prous, J., et al.: Drugs Fut., 15, 11(1990)
• Radha, K., et al.: J. Pharm. Biomed. Anal., 29, 593 (1990)