2-chloro-5-ethylpyridine

• ChemBase编号: 164235
• 分子式: C7H8ClN
• 平均质量: 141.59812
• 单一同位素质量: 141.03452694
• SMILES: c1c(ncc(c1)CC)Cl
• Canonical SMILES: CCc1ccc(nc1)Cl
• InChI: InChI=1S/C7H8ClN/c1-2-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
• InChIKey: HJQDSJJSRDWZIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-5-ethylpyridine
• IUPAC传统名: 2-chloro-5-ethylpyridine
• 别名: 2-Chloro-5-ethylpyridine

登记号

• CAS号: 90196-32-0
• PubChem SID: 162258370
• PubChem CID: 11126363

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.5377433
• LogD (pH = 7.4): 2.5377848
• Log P: 2.5377853
• 摩尔折射率: 39.4094 cm^3
• 极化性: 14.957609 Å^3
• 极化表面积: 12.89 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

• 纯度: 95+%

详细说明

Toronto Research Chemicals - C366225

2-Chloro-5-ethylpyridine is a disubstituted pyridine used in the preparation of biologically active compounds such as potential vanilloid receptor-1 antagonists.