5-chloro-4-iodo-2,3-dimethoxypyridine

• ChemBase编号: 54571
• 分子式: C7H7ClINO2
• 平均质量: 299.49345
• 单一同位素质量: 298.92100415
• SMILES: c1(cnc(c(c1I)OC)OC)Cl
• Canonical SMILES: COc1c(OC)ncc(c1I)Cl
• InChI: InChI=1S/C7H7ClINO2/c1-11-6-5(9)4(8)3-10-7(6)12-2/h3H,1-2H3
• InChIKey: HGMCZYDZUSTGCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-4-iodo-2,3-dimethoxypyridine
• IUPAC传统名: 5-chloro-4-iodo-2,3-dimethoxypyridine
• 别名: 5-Chloro-4-iodo-2,3-dimethoxypyridine; 5-Chloro-4-iodo-2,3-dimethoxypyridine

登记号

• MDL号: MFCD18803487
• PubChem SID: 162059334
• PubChem CID: 50989280

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5676768
• LogD (pH = 7.4): 2.5676775
• Log P: 2.5676775
• 摩尔折射率: 55.3083 cm^3
• 极化性: 21.825583 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 2
• 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): C7H7ClINO2

详细说明

Sigma Aldrich - ADE000201

Other Notes
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