2,5-dichloro-4,6-diiodopyridin-3-ol

• ChemBase编号: 54437
• 分子式: C5HCl2I2NO
• 平均质量: 415.78248
• 单一同位素质量: 414.75246502
• SMILES: c1(c(nc(c(c1I)O)Cl)I)Cl
• Canonical SMILES: Clc1nc(I)c(c(c1O)I)Cl
• InChI: InChI=1S/C5HCl2I2NO/c6-1-2(8)3(11)4(7)10-5(1)9/h11H
• InChIKey: YBXJSLAMKRMCLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dichloro-4,6-diiodopyridin-3-ol
• IUPAC传统名: 2,5-dichloro-4,6-diiodopyridin-3-ol
• 别名: 2,5-Dichloro-4,6-diiodopyridin-3-ol; 2,5-Dichloro-4,6-diiodopyridin-3-ol

登记号

• MDL号: MFCD18374111
• PubChem SID: 162059200
• PubChem CID: 50990628

理论计算性质

• Acid pKa: 5.1224456
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.267372
• LogD (pH = 7.4): 2.2650275
• Log P: 3.7707512
• 摩尔折射率: 62.986 cm^3
• 极化性: 25.185308 Å^3
• 极化表面积: 33.12 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): C5HCl2I2NO

详细说明

Sigma Aldrich - ADE000193

Other Notes
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