2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

• ChemBase编号: 800761
• 分子式: C13H20BNO2
• 平均质量: 233.1144
• 单一同位素质量: 233.15870929
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO2/c1-10-7-6-8-11(15-10)9-14-16-12(2,3)13(4,5)17-14/h6-8H,9H2,1-5H3
• InChIKey: UMUSZFQVARLYMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• IUPAC传统名: 2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine
• 别名: 2-(6-METHYLPYRIDIN-2-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7587826
• LogD (pH = 7.4): 2.9903684
• Log P: 2.9943
• 摩尔折射率: 62.4605 cm^3
• 极化性: 26.727148 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%