2,5-dichloro-6-iodopyridin-3-ol

• ChemBase编号: 54538
• 分子式: C5H2Cl2INO
• 平均质量: 289.88595
• 单一同位素质量: 288.85581705
• SMILES: c1(c(nc(c(c1)O)Cl)I)Cl
• Canonical SMILES: Clc1nc(I)c(cc1O)Cl
• InChI: InChI=1S/C5H2Cl2INO/c6-2-1-3(10)4(7)9-5(2)8/h1,10H
• InChIKey: MQVZYFNBLGHQLG-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 1261365-62-1
• MDL号: MFCD18374107
• PubChem SID: 162059301
• PubChem CID: 50990638

理论计算性质

• Acid pKa: 6.157307
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.7576087
• LogD (pH = 7.4): 1.7227436
• Log P: 2.8418067
• 摩尔折射率: 49.6235 cm^3
• 极化性: 19.568308 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): C5H2Cl2INO

详细说明

Sigma Aldrich - ADE000183

Other Notes
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