2,6-dichloro-4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine

• ChemBase编号: 96620
• 分子式: C14H6Cl2F2N2S
• 平均质量: 343.1786464
• 单一同位素质量: 341.959681
• SMILES: n1c(c2cc(nc(c2)Cl)Cl)scc1c1cc(c(cc1)F)F
• Canonical SMILES: Clc1nc(Cl)cc(c1)c1scc(n1)c1ccc(c(c1)F)F
• InChI: InChI=1S/C14H6Cl2F2N2S/c15-12-4-8(5-13(16)20-12)14-19-11(6-21-14)7-1-2-9(17)10(18)3-7/h1-6H
• InChIKey: SJADJKOKPDGNMC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD01765049
• PubChem SID: 162083269
• PubChem CID: 2781814

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.4060216
• LogD (pH = 7.4): 5.4060593
• Log P: 5.4060597
• 摩尔折射率: 91.1403 cm^3
• 极化性: 31.699673 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false