5-chloro-2-(1-methylhydrazin-1-yl)-3-(trifluoromethyl)pyridine

• ChemBase编号: 96373
• 分子式: C7H7ClF3N3
• 平均质量: 225.5987896
• 单一同位素质量: 225.02805958
• SMILES: n1cc(cc(c1N(N)C)C(F)(F)F)Cl
• Canonical SMILES: CN(c1ncc(cc1C(F)(F)F)Cl)N
• InChI: InChI=1S/C7H7ClF3N3/c1-14(12)6-5(7(9,10)11)2-4(8)3-13-6/h2-3H,12H2,1H3
• InChIKey: PSTGWMCTJXPJSN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-2-(1-methylhydrazin-1-yl)-3-(trifluoromethyl)pyridine
• IUPAC传统名: 5-chloro-2-(1-methylhydrazin-1-yl)-3-(trifluoromethyl)pyridine
• 别名: 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazine

登记号

• MDL号: MFCD00052292
• PubChem SID: 162083022
• PubChem CID: 2781402

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.0755293
• LogD (pH = 7.4): 2.2673488
• Log P: 2.2704828
• 摩尔折射率: 58.5051 cm^3
• 极化性: 17.102238 Å^3
• 极化表面积: 42.15 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true