3-chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine

• ChemBase编号: 51627
• 分子式: C9H9ClFIN2
• 平均质量: 326.5370332
• 单一同位素质量: 325.9483022
• SMILES: c1(c(nc(cc1I)N1CCCC1)F)Cl
• Canonical SMILES: Clc1c(I)cc(nc1F)N1CCCC1
• InChI: InChI=1S/C9H9ClFIN2/c10-8-6(12)5-7(13-9(8)11)14-3-1-2-4-14/h5H,1-4H2
• InChIKey: UDLXXFMEOMFIIQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine
• IUPAC传统名: 3-chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine
• 别名: 3-Chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine; 3-Chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)-pyridine; 3-Chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine

登记号

• MDL号: MFCD15530298
• PubChem SID: 162056390
• PubChem CID: 46318161

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.933494
• LogD (pH = 7.4): 3.933494
• Log P: 3.933494
• 摩尔折射率: 65.5826 cm^3
• 极化性: 24.23191 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C9H9ClFIN2

详细说明

Sigma Aldrich - ADE000816

Other Notes
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