5-chloro-6-iodo-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

• ChemBase编号: 65662
• 分子式: C22H35BClIN2O2Si
• 平均质量: 560.77947
• 单一同位素质量: 560.12941098
• SMILES: c1(c(nc2c(c1B1OC(C(O1)(C)C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)I)Cl
• Canonical SMILES: Clc1c(I)nc2c(c1B1OC(C(O1)(C)C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C22H35BClIN2O2Si/c1-13(2)30(14(3)4,15(5)6)27-12-11-16-17(18(24)19(25)26-20(16)27)23-28-21(7,8)22(9,10)29-23/h11-15H,1-10H3
• InChIKey: HACHMEZZKVDXHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-6-iodo-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC传统名: 5-chloro-6-iodo-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• 别名: 5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine; 5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

登记号

• MDL号: MFCD20487009
• PubChem SID: 162031401
• PubChem CID: 71299141

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.0551
• LogD (pH = 7.4): 8.0551
• Log P: 8.0551
• 摩尔折射率: 127.7571 cm^3
• 极化性: 54.155014 Å^3
• 极化表面积: 36.28 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): C22H35BClIN2O2Si

详细说明

Sigma Aldrich - ADE001133

Other Notes
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