4-iodo-1,5-naphthyridin-3-amine

• ChemBase编号: 54494
• 分子式: C8H6IN3
• 平均质量: 271.05781
• 单一同位素质量: 270.96064521
• SMILES: c1c(c(c2c(n1)cccn2)I)N
• Canonical SMILES: Nc1cnc2c(c1I)nccc2
• InChI: InChI=1S/C8H6IN3/c9-7-5(10)4-12-6-2-1-3-11-8(6)7/h1-4H,10H2
• InChIKey: JVBCOKNQHUKGGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-iodo-1,5-naphthyridin-3-amine
• IUPAC传统名: 4-iodo-1,5-naphthyridin-3-amine
• 别名: 4-Iodo-1,5-naphthyridin-3-amine; 4-Iodo-1,5-naphthyridin-3-amine

登记号

• MDL号: MFCD18374118
• PubChem SID: 162059257
• PubChem CID: 50989679

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.399082
• LogD (pH = 7.4): 1.3990967
• Log P: 1.3990968
• 摩尔折射率: 55.5133 cm^3
• 极化性: 22.270975 Å^3
• 极化表面积: 51.8 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
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C8H6IN3

详细说明

Sigma Aldrich - ADE000871

Other Notes
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