2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine

• ChemBase编号: 96622
• 分子式: C15H7Cl2F3N2S
• 平均质量: 375.1956896
• 单一同位素质量: 373.96590925
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1ccc(cc1)C(F)(F)F
• Canonical SMILES: FC(c1ccc(cc1)c1csc(n1)c1cc(Cl)nc(c1)Cl)(F)F
• InChI: InChI=1S/C15H7Cl2F3N2S/c16-12-5-9(6-13(17)22-12)14-21-11(7-23-14)8-1-3-10(4-2-8)15(18,19)20/h1-7H
• InChIKey: UNCMTAUONGQTFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine
• IUPAC传统名: 2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine
• 别名: 2,6-dichloro-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}pyridine

登记号

• MDL号: MFCD01765059
• PubChem SID: 162083271
• PubChem CID: 2781818

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.998466
• LogD (pH = 7.4): 5.9985037
• Log P: 5.998504
• 摩尔折射率: 96.6812 cm^3
• 极化性: 33.381737 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false