2-chloro-4-iodo-5-(trifluoromethyl)pyridine

• ChemBase编号: 52702
• 分子式: C6H2ClF3IN
• 平均质量: 307.4394596
• 单一同位素质量: 306.88725941
• SMILES: c1(cnc(cc1I)Cl)C(F)(F)F
• Canonical SMILES: FC(c1cnc(cc1I)Cl)(F)F
• InChI: InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
• InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
• IUPAC传统名: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
• 别名: 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine; 2-Chloro-5-(trifluoromethyl)-4-iodopyridine

登记号

• CAS号: 505084-55-9
• MDL号: MFCD01862099
• PubChem SID: 162057465
• PubChem CID: 2773791

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.386588
• LogD (pH = 7.4): 3.386588
• Log P: 3.386588
• 摩尔折射率: 49.1034 cm^3
• 极化性: 18.403852 Å^3
• 极化表面积: 12.89 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

• 溶解度: Chloroform; Methanol
• 外观: Light Tan Solid
• 熔点: 126-128°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 98%

详细说明

Toronto Research Chemicals - C367325

2-Chloro-4-iodo-5-(trifluoromethyl)pyridine is used in preparation of pyridine-2,4-diamine derivatives as FAK inhibitors for the treatment of arthritis, inflammatory and immune disorders.

参考文献

• Lide, D., et al.: J. Chem. Phys., 29, 914 (1958)
• Giovannini, E., et al.: Helv. Chim. Acta, 42, 1142 (1958)