methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate

• ChemBase编号: 165764
• 分子式: C10H13NO3
• 平均质量: 195.21512
• 单一同位素质量: 195.08954328
• SMILES: c1(c(ncc(c1OC)C(=O)OC)C)C
• Canonical SMILES: COC(=O)c1cnc(c(c1OC)C)C
• InChI: InChI=1S/C10H13NO3/c1-6-7(2)11-5-8(9(6)13-3)10(12)14-4/h5H,1-4H3
• InChIKey: GGJHECRMGSQBBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
• IUPAC传统名: methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
• 别名: 4-Methoxy-5,6-dimethyl-3-pyridinecarboxylic Acid Methyl Ester; Methyl 4-Methoxy-5,6-dimethyl-3-pyridinecarboxylate; 5,6-Dimethyl-4-methoxy Nicotinic Acid Methyl Ester

登记号

• PubChem SID: 162259897
• PubChem CID: 55253238

理论计算性质

• LogD (pH = 7.4): 1.2237384
• Log P: 1.2461706
• 摩尔折射率: 52.0223 cm^3
• 极化性: 19.927097 Å^3
• 极化表面积: 48.42 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.57839733

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: Yellow Liquid

详细说明

Toronto Research Chemicals - D230955

Omeprazole Acid intermediate.