6-iodo-2H,3H,4H-pyrano[3,2-b]pyridine

• ChemBase编号: 54508
• 分子式: C8H8INO
• 平均质量: 261.05969
• 单一同位素质量: 260.96506188
• SMILES: c1(ccc2c(n1)CCCO2)I
• Canonical SMILES: Ic1ccc2c(n1)CCCO2
• InChI: InChI=1S/C8H8INO/c9-8-4-3-7-6(10-8)2-1-5-11-7/h3-4H,1-2,5H2
• InChIKey: AMAAXVSESBSGCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-iodo-2H,3H,4H-pyrano[3,2-b]pyridine
• IUPAC传统名: 6-iodo-2H,3H,4H-pyrano[3,2-b]pyridine
• 别名: 6-Iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine; 6-Iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine

登记号

• MDL号: MFCD18374079
• PubChem SID: 162059271
• PubChem CID: 50989463

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.91769
• LogD (pH = 7.4): 1.9178059
• Log P: 1.9178073
• 摩尔折射率: 50.9217 cm^3
• 极化性: 20.137403 Å^3
• 极化表面积: 22.12 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

• Empirical Formula (Hill Notation): C8H8INO

详细说明

Sigma Aldrich - ADE000008

Other Notes
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