5-(2,6-dimethoxypyridin-3-yl)-N,N-dimethylpyridin-2-amine

• ChemBase编号: 764723
• 分子式: C14H17N3O2
• 平均质量: 259.30368
• 单一同位素质量: 259.1320768
• SMILES: n1c(c(ccc1OC)c1cnc(N(C)C)cc1)OC
• Canonical SMILES: COc1ccc(c(n1)OC)c1ccc(nc1)N(C)C
• InChI: InChI=1S/C14H17N3O2/c1-17(2)12-7-5-10(9-15-12)11-6-8-13(18-3)16-14(11)19-4/h5-9H,1-4H3
• InChIKey: PCDJFRSVZMZEAI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(2,6-dimethoxypyridin-3-yl)-N,N-dimethylpyridin-2-amine
• IUPAC传统名: 5-(2,6-dimethoxypyridin-3-yl)-N,N-dimethylpyridin-2-amine
• 别名: 2',6'-dimethoxy-N,N-dimethyl-3,3'-bipyridin-6-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.2981036
• LogD (pH = 7.4): 2.750229
• Log P: 2.7612002
• 摩尔折射率: 75.1759 cm^3
• 极化性: 29.34694 Å^3
• 极化表面积: 47.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.8
• LOG S: -3.48
• 极化表面积: 47.48 Å^2
• 可自由旋转的化学键: 4