2-chloro-5-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]pyridine

• ChemBase编号: 124563
• 分子式: C10H8Cl3N3
• 平均质量: 276.54962
• 单一同位素质量: 274.97838031
• SMILES: n1(c(c(nc1C)Cl)Cl)Cc1cnc(Cl)cc1
• Canonical SMILES: Clc1ccc(cn1)Cn1c(C)nc(c1Cl)Cl
• InChI: InChI=1S/C10H8Cl3N3/c1-6-15-9(12)10(13)16(6)5-7-2-3-8(11)14-4-7/h2-4H,5H2,1H3
• InChIKey: UOYCIQMEPZLFQS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-5-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]pyridine
• IUPAC传统名: 2-chloro-5-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]pyridine
• 别名: 2-chloro-5-((4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl)pyridine

登记号

• PubChem SID: 162218916
• PubChem CID: 51052010

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6707482
• LogD (pH = 7.4): 2.6757522
• Log P: 2.6758163
• 摩尔折射率: 67.344 cm^3
• 极化性: 25.272263 Å^3
• 极化表面积: 30.71 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true