2,5-dichloro-6-iodopyridine-3-carbaldehyde

• ChemBase编号: 54584
• 分子式: C6H2Cl2INO
• 平均质量: 301.89665
• 单一同位素质量: 300.85581705
• SMILES: c1(c(nc(c(c1)C=O)Cl)I)Cl
• Canonical SMILES: O=Cc1cc(Cl)c(nc1Cl)I
• InChI: InChI=1S/C6H2Cl2INO/c7-4-1-3(2-11)5(8)10-6(4)9/h1-2H
• InChIKey: UWBIGQSFURXXAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dichloro-6-iodopyridine-3-carbaldehyde
• IUPAC传统名: 2,5-dichloro-6-iodopyridine-3-carbaldehyde
• 别名: 2,5-Dichloro-6-iodonicotinaldehyde; 2,5-Dichloro-6-iodonicotinaldehyde

登记号

• MDL号: MFCD18803498
• PubChem SID: 162059347
• PubChem CID: 50988857

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8578744
• LogD (pH = 7.4): 2.8578744
• Log P: 2.8578744
• 摩尔折射率: 54.2266 cm^3
• 极化性: 20.815624 Å^3
• 极化表面积: 29.96 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): C6H2Cl2INO

详细说明

Sigma Aldrich - ADE000207

Other Notes
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