2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine

• ChemBase编号: 800791
• 分子式: C14H14FN3O
• 平均质量: 259.2788632
• 单一同位素质量: 259.1120903
• SMILES: n1c(cccc1C)/C(=N\N)/c1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)/C(=N/N)/c1cccc(n1)C)F
• InChI: InChI=1S/C14H14FN3O/c1-9-4-3-5-13(17-9)14(18-16)11-8-10(19-2)6-7-12(11)15/h3-8H,16H2,1-2H3/b18-14-
• InChIKey: IUJNBFACBPEDSG-JXAWBTAJSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine
• IUPAC传统名: 2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine
• 别名: (Z)-2-((2-fluoro-5-methoxyphenyl)(hydrazono)methyl)-6-methylpyridine

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.433149
• LogD (pH = 7.4): 2.4333608
• Log P: 2.4333634
• 摩尔折射率: 71.9169 cm^3
• 极化性: 26.939163 Å^3
• 极化表面积: 60.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%