methyl 2-chloro-4-methoxy-5,6-dimethylpyridine-3-carboxylate

• ChemBase编号: 164217
• 分子式: C10H12ClNO3
• 平均质量: 229.66018
• 单一同位素质量: 229.05057093
• SMILES: c1(c(nc(c(c1OC)C(=O)OC)Cl)C)C
• Canonical SMILES: COC(=O)c1c(Cl)nc(c(c1OC)C)C
• InChI: InChI=1S/C10H12ClNO3/c1-5-6(2)12-9(11)7(8(5)14-3)10(13)15-4/h1-4H3
• InChIKey: DKEGJYCVRWYPGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-chloro-4-methoxy-5,6-dimethylpyridine-3-carboxylate
• IUPAC传统名: methyl 2-chloro-4-methoxy-5,6-dimethylpyridine-3-carboxylate
• 别名: 2-Chloro-4-methoxy-5,6-dimethyl-3-pyridinecarboxylic Acid Methyl Ester; Methyl 2-Chloro-4-methoxy-5,6-dimethyl-3-pyridinecarboxylate; 2-Chloro-5,6-dimethyl-4-methoxy Nicotinic Acid Methyl Ester

登记号

• PubChem SID: 162258352
• PubChem CID: 71314718

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0698874
• LogD (pH = 7.4): 2.0703862
• Log P: 2.0703926
• 摩尔折射率: 57.8884 cm^3
• 极化性: 21.93369 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

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane
• 外观: Yellow Oil

详细说明

Toronto Research Chemicals - C365435

Omeprazole Acid intermediate.