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

• ChemBase编号: 32472
• 分子式: C5H2Br2INO
• 平均质量: 378.78795
• 单一同位素质量: 376.75478569
• SMILES: c1(c(nc(c(c1)O)Br)Br)I
• Canonical SMILES: Oc1cc(I)c(nc1Br)Br
• InChI: InChI=1S/C5H2Br2INO/c6-4-2(8)1-3(10)5(7)9-4/h1,10H
• InChIKey: ROFLBQPJOBJFTH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 1105675-63-5
• MDL号: MFCD11857620
• PubChem SID: 160995779
• PubChem CID: 46736742

理论计算性质

• Acid pKa: 6.20424
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.253164
• LogD (pH = 7.4): 2.2408004
• Log P: 3.3295019
• 摩尔折射率: 56.1745 cm^3
• 极化性: 21.909567 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): C5H2Br2INO

详细说明

Sigma Aldrich - ADE000475

Other Notes
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