5-chloro-N-methylpyridin-2-amine

• ChemBase编号: 164393
• 分子式: C6H7ClN2
• 平均质量: 142.58618
• 单一同位素质量: 142.02977591
• SMILES: c1(cnc(cc1)NC)Cl
• Canonical SMILES: CNc1ccc(cn1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)
• InChIKey: KSISYWKRGRATSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-N-methylpyridin-2-amine
• IUPAC传统名: 5-chloro-N-methylpyridin-2-amine
• 别名: 5-Chloro-N-methylpyridin-2-amine; 5-Chloro-2-methylaminopyridine; 5-Chloro-2-(methylamino)pyridine; 5-Chloro-N-methyl-2-pyridineamine; 5-chloro-N-methylpyridin-2-amine

登记号

• CAS号: 4214-80-6
• MDL号: MFCD00955783
• PubChem SID: 162258528
• PubChem CID: 3837024

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.3712611
• LogD (pH = 7.4): 1.4261043
• Log P: 1.4268538
• 摩尔折射率: 39.2132 cm^3
• 极化性: 14.291847 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.96

产品相关信息

• 纯度: 95%; 98%

详细说明

Toronto Research Chemicals - C369060

5-Chloro-2-methylaminopyridine is used in the preparation of aminosulfuranes with N-heterocyclic groups.

参考文献

• Pashinnik, V.E. et al.: Ukr. Khim. Zhur., 73, 45 (2007)