3-bromo-2,6-diiodo-5-methoxypyridine

• ChemBase编号: 29727
• 分子式: C6H4BrI2NO
• 平均质量: 439.815
• 单一同位素质量: 438.75657175
• SMILES: c1(c(nc(c(c1)OC)I)I)Br
• Canonical SMILES: COc1cc(Br)c(nc1I)I
• InChI: InChI=1S/C6H4BrI2NO/c1-11-4-2-3(7)5(8)10-6(4)9/h2H,1H3
• InChIKey: GDIKLFGDHVQDIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-bromo-2,6-diiodo-5-methoxypyridine
• IUPAC传统名: 3-bromo-2,6-diiodo-5-methoxypyridine
• 别名: 3-Bromo-2,6-diiodo-5-methoxypyridine; 3-Bromo-2,6-diiodo-5-methoxypyridine

登记号

• CAS号: 1040682-61-8
• MDL号: MFCD10574980
• PubChem SID: 160993034
• PubChem CID: 26076350

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2897189
• LogD (pH = 7.4): 3.2897189
• Log P: 3.2897189
• 摩尔折射率: 64.1283 cm^3
• 极化性: 26.14919 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): C6H4BrI2NO

详细说明

Sigma Aldrich - ADE000432

Other Notes
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