3-fluoro-2-iodopyridine

• ChemBase编号: 23711
• 分子式: C5H3FIN
• 平均质量: 222.9868932
• 单一同位素质量: 222.92942532
• SMILES: c1cnc(c(c1)F)I
• Canonical SMILES: Fc1cccnc1I
• InChI: InChI=1S/C5H3FIN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: ZDGZTSMMMPDJLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-2-iodopyridine
• IUPAC传统名: 3-fluoro-2-iodopyridine
• 别名: 3-Fluoro-2-iodo-pyridine; 3-Fluoro-2-iodo-pyridine; 3-Fluoro-2-iodopyridine

登记号

• CAS号: 146141-04-0
• MDL号: MFCD03095288
• PubChem SID: 160987018
• PubChem CID: 1519483

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.8598073
• LogD (pH = 7.4): 1.8598074
• Log P: 1.8598074
• 摩尔折射率: 37.1881 cm^3
• 极化性: 14.655298 Å^3
• 极化表面积: 12.89 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; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C5H3FIN

详细说明

Sigma Aldrich - ADE000285

Other Notes
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