2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine

• ChemBase编号: 51599
• 分子式: C9H10FIN2
• 平均质量: 292.0919732
• 单一同位素质量: 291.98727455
• SMILES: c1c(nc(cc1I)F)N1CCCC1
• Canonical SMILES: Ic1cc(F)nc(c1)N1CCCC1
• InChI: InChI=1S/C9H10FIN2/c10-8-5-7(11)6-9(12-8)13-3-1-2-4-13/h5-6H,1-4H2
• InChIKey: UHCWRCSZYWGQCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine
• IUPAC传统名: 2-fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine
• 别名: 2-Fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine; 2-Fluoro-4-iodo-6-(pyrrolidin-1-yl)pyridine

登记号

• MDL号: MFCD15530273
• PubChem SID: 162056362
• PubChem CID: 46318103

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.329449
• LogD (pH = 7.4): 3.3294494
• Log P: 3.3294494
• 摩尔折射率: 60.7778 cm^3
• 极化性: 22.19242 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 1
• 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): C9H10FIN2

详细说明

Sigma Aldrich - ADE000741

Other Notes
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