6-iodopyridine-2-carbohydrazide

• ChemBase编号: 21391
• 分子式: C6H6IN3O
• 平均质量: 263.03581
• 单一同位素质量: 262.95555983
• SMILES: c1(cccc(n1)I)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc(n1)I
• InChI: InChI=1S/C6H6IN3O/c7-5-3-1-2-4(9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
• InChIKey: SCUAHTXSISUBKA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-iodopyridine-2-carbohydrazide
• IUPAC传统名: 6-iodopyridine-2-carbohydrazide
• 别名: 6-Iodo-pyridine-2-carboxylic acid hydrazide; 6-Iodo-pyridine-2-carboxylic acid hydrazide

登记号

• CAS号: 851102-43-7
• MDL号: MFCD07779515
• PubChem SID: 160984698
• PubChem CID: 24229168

理论计算性质

• Acid pKa: 13.800879
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.6565337
• LogD (pH = 7.4): 0.6571129
• Log P: 0.6571204
• 摩尔折射率: 50.1622 cm^3
• 极化性: 19.146101 Å^3
• 极化表面积: 68.01 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 178-179°C

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C6H6IN3O

详细说明

Sigma Aldrich - ADE000345

Other Notes
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