5-bromo-2,3-diiodopyridine

• ChemBase编号: 54515
• 分子式: C5H2BrI2N
• 平均质量: 409.78902
• 单一同位素质量: 408.74600707
• SMILES: c1(cnc(c(c1)I)I)Br
• Canonical SMILES: Brc1cnc(c(c1)I)I
• InChI: InChI=1S/C5H2BrI2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: XUTYGXLWMSAZAA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-bromo-2,3-diiodopyridine
• IUPAC传统名: 5-bromo-2,3-diiodopyridine
• 别名: 5-Bromo-2,3-diiodopyridine; 5-Bromo-2,3-diiodopyridine

登记号

• MDL号: MFCD18374100
• PubChem SID: 162059278
• PubChem CID: 50987373

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4148026
• LogD (pH = 7.4): 3.4148026
• Log P: 3.4148026
• 摩尔折射率: 57.957 cm^3
• 极化性: 23.52761 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 0
• 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): C5H2BrI2N

详细说明

Sigma Aldrich - ADE000168

Other Notes
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