4-amino-2-iodopyridin-3-ol

• ChemBase编号: 44897
• 分子式: C5H5IN2O
• 平均质量: 236.01047
• 单一同位素质量: 235.94466079
• SMILES: c1cnc(c(c1N)O)I
• Canonical SMILES: Nc1ccnc(c1O)I
• InChI: InChI=1S/C5H5IN2O/c6-5-4(9)3(7)1-2-8-5/h1-2,9H,(H2,7,8)
• InChIKey: DSCZXTKPQSVQCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-2-iodopyridin-3-ol
• IUPAC传统名: 4-amino-2-iodopyridin-3-ol
• 别名: 4-Amino-2-iodopyridin-3-ol; 4-Amino-2-iodopyridin-3-ol

登记号

• MDL号: MFCD12025486
• PubChem SID: 162049660
• PubChem CID: 46737834

理论计算性质

• Acid pKa: 8.415423
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.24617295
• LogD (pH = 7.4): 0.5374923
• Log P: 0.5846142
• 摩尔折射率: 43.653 cm^3
• 极化性: 16.640133 Å^3
• 极化表面积: 59.14 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): C5H5IN2O

详细说明

Sigma Aldrich - ADE000631

Other Notes
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