2,5-diiodo-3-methoxypyridine

• ChemBase编号: 32558
• 分子式: C6H5I2NO
• 平均质量: 360.91894
• 单一同位素质量: 360.84605979
• SMILES: c1(cnc(c(c1)OC)I)I
• Canonical SMILES: COc1cc(I)cnc1I
• InChI: InChI=1S/C6H5I2NO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
• InChIKey: KRNCVHSAISYIDS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-diiodo-3-methoxypyridine
• IUPAC传统名: 2,5-diiodo-3-methoxypyridine
• 别名: 2,5-Diiodo-3-methoxypyridine; 2,5-Diiodo-3-methoxypyridine

登记号

• CAS号: 1138444-33-3
• MDL号: MFCD11857704
• PubChem SID: 160995865
• PubChem CID: 46736796

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.488378
• LogD (pH = 7.4): 2.4883788
• Log P: 2.4883788
• 摩尔折射率: 56.7974 cm^3
• 极化性: 22.852222 Å^3
• 极化表面积: 22.12 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): C6H5I2NO

详细说明

Sigma Aldrich - ADE000564

Other Notes
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