6-methyl-4-(trifluoromethyl)pyridin-2-amine

• ChemBase编号: 160323
• 分子式: C7H7F3N2
• 平均质量: 176.1390896
• 单一同位素质量: 176.05613289
• SMILES: c1(cc(cc(n1)N)C(F)(F)F)C
• Canonical SMILES: Cc1nc(N)cc(c1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c1-4-2-5(7(8,9)10)3-6(11)12-4/h2-3H,1H3,(H2,11,12)
• InChIKey: LCSAFGRUAPRSPW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methyl-4-(trifluoromethyl)pyridin-2-amine
• IUPAC传统名: 6-methyl-4-(trifluoromethyl)pyridin-2-amine
• 别名: 6-Methyl-4-(trifluoromethyl)-2-pyridinamine; (6-Methyl-4-trifluoromethylpyridin-2-yl)amine; 2-Amino-6-methyl-4-(trifluoromethyl)pyridine; 6-METHYL-4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE

登记号

• CAS号: 165385-89-7
• PubChem SID: 162254458
• PubChem CID: 18428521

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.02838698
• LogD (pH = 7.4): 1.2935714
• Log P: 1.5303236
• 摩尔折射率: 39.4802 cm^3
• 极化性: 13.604066 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%

详细说明

Toronto Research Chemicals - A618270

An amino pyridine derivative used in the preparation of tetrameric fructose-1,6-bisphosphatase inhibitors as well as other pharmaceutical agents.

参考文献

• Hebeisen, P. et al.: Bioorg. Med. Chem. Lett., 21, 3237 (2011)