2-{furo[3,2-b]pyridin-6-yloxy}-3-iodopyridine

• ChemBase编号: 51686
• 分子式: C12H7IN2O2
• 平均质量: 338.10065
• 单一同位素质量: 337.95522547
• SMILES: c1c(cc2c(n1)cco2)Oc1c(cccn1)I
• Canonical SMILES: Ic1cccnc1Oc1cnc2c(c1)occ2
• InChI: InChI=1S/C12H7IN2O2/c13-9-2-1-4-14-12(9)17-8-6-11-10(15-7-8)3-5-16-11/h1-7H
• InChIKey: NWAMJLNYGZWHOU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{furo[3,2-b]pyridin-6-yloxy}-3-iodopyridine
• IUPAC传统名: 2-{furo[3,2-b]pyridin-6-yloxy}-3-iodopyridine
• 别名: 6-(3-Iodopyridin-2-yloxy)furo[3,2-b]pyridine; 6-(3-Iodopyridin-2-yloxy)furo[3,2-b]pyridine

登记号

• MDL号: MFCD15530316
• PubChem SID: 162056449
• PubChem CID: 46318209

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1061172
• LogD (pH = 7.4): 3.1065583
• Log P: 3.1065638
• 摩尔折射率: 70.1301 cm^3
• 极化性: 28.370028 Å^3
• 极化表面积: 48.15 Å^2
• 可自由旋转的化学键: 2
• 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): C12H7IN2O2

详细说明

Sigma Aldrich - ADE001204

Other Notes
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