4-iodo-5-(trifluoromethyl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

• ChemBase编号: 54547
• 分子式: C17H24F3IN2Si
• 平均质量: 468.3710396
• 单一同位素质量: 468.07055797
• SMILES: c1(cnc2c(c1I)ccn2[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F
• Canonical SMILES: CC([Si](n1ccc2c1ncc(c2I)C(F)(F)F)(C(C)C)C(C)C)C
• InChI: InChI=1S/C17H24F3IN2Si/c1-10(2)24(11(3)4,12(5)6)23-8-7-13-15(21)14(17(18,19)20)9-22-16(13)23/h7-12H,1-6H3
• InChIKey: BNCSOAGCBQPTNQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-iodo-5-(trifluoromethyl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC传统名: 4-iodo-5-(trifluoromethyl)-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• 别名: 4-Iodo-5-(trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine; 4-Iodo-5-(trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

登记号

• MDL号: MFCD18374143
• PubChem SID: 162059310
• PubChem CID: 50986524

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.368701
• LogD (pH = 7.4): 6.3688974
• Log P: 6.3689
• 摩尔折射率: 99.5628 cm^3
• 极化性: 39.693935 Å^3
• 极化表面积: 17.82 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

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): C17H24F3IN2Si

详细说明

Sigma Aldrich - ADE001109

Other Notes
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