4-chloro-2,3,5-trifluoro-6-hydrazinylpyridine

• ChemBase编号: 100805
• 分子式: C5H3ClF3N3
• 平均质量: 197.5456296
• 单一同位素质量: 196.99675945
• SMILES: n1c(c(c(c(c1F)F)Cl)F)NN
• Canonical SMILES: NNc1nc(F)c(c(c1F)Cl)F
• InChI: InChI=1S/C5H3ClF3N3/c6-1-2(7)4(9)11-5(12-10)3(1)8/h10H2,(H,11,12)
• InChIKey: MUCWNDFNZKLBKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-chloro-2,3,5-trifluoro-6-hydrazinylpyridine
• IUPAC传统名: 4-chloro-2,3,5-trifluoro-6-hydrazinylpyridine
• 别名: 4-Chloro-2,3,5-trifluoro-6-hydrazinopyridine

登记号

• MDL号: MFCD08436093
• PubChem SID: 162087815
• PubChem CID: 26986298

理论计算性质

• Acid pKa: 16.161945
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.1630876
• LogD (pH = 7.4): 2.1650877
• Log P: 2.1677547
• 摩尔折射率: 40.39 cm^3
• 极化性: 13.542029 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Toxic