ethyl 6-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

• ChemBase编号: 814073
• 分子式: C15H22BNO5
• 平均质量: 307.14988
• 单一同位素质量: 307.15910321
• SMILES: O(C(=O)c1cc(cc(n1)OC)B1OC(C(O1)(C)C)(C)C)CC
• Canonical SMILES: CCOC(=O)c1cc(cc(n1)OC)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H22BNO5/c1-7-20-13(18)11-8-10(9-12(17-11)19-6)16-21-14(2,3)15(4,5)22-16/h8-9H,7H2,1-6H3
• InChIKey: IWIPJHIUADMVPW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 6-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
• IUPAC传统名: ethyl 6-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
• 别名: ethyl 6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.3236
• LogD (pH = 7.4): 3.3236
• Log P: 3.3236
• 摩尔折射率: 76.7348 cm^3
• 极化性: 31.922857 Å^3
• 极化表面积: 66.88 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%