methyl pyridine-2-carboximidate

• ChemBase编号: 176719
• 分子式: C7H8N2O
• 平均质量: 136.15122
• 单一同位素质量: 136.06366289
• SMILES: c1cnc(cc1)C(=N)OC
• Canonical SMILES: COC(=N)c1ccccn1
• InChI: InChI=1S/C7H8N2O/c1-10-7(8)6-4-2-3-5-9-6/h2-5,8H,1H3
• InChIKey: NEGQCMNHXHSFGU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl pyridine-2-carboximidate
• IUPAC传统名: methyl pyridine-2-carboximidate
• 别名: 2-Pyridinecarboximidic Acid Methyl Ester; Methyl 2-Pyridinecarboximidate; Methyl Iminopicolinate; Methyl Picolinimidate; Picolinimidic Acid Methyl Ester

登记号

• CAS号: 19547-38-7
• PubChem SID: 164232629
• PubChem CID: 152260

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.7810751
• LogD (pH = 7.4): 0.92235744
• Log P: 0.9244955
• 摩尔折射率: 48.2953 cm^3
• 极化性: 14.518771 Å^3
• 极化表面积: 45.97 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P437225

An imidoesters with effect on ion transport in human erythrocytes.

参考文献

• McKinley-McKee, J.S., et al.: Eur. J. Biochem., 28, 1 (1972)