ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

• ChemBase编号: 291779
• 分子式: C14H12ClFN2O3
• 平均质量: 310.7080832
• 单一同位素质量: 310.05204815
• SMILES: O=C(c1cn(C2CC2)c2c(cc(F)c(Cl)n2)c1=O)OCC
• Canonical SMILES: CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(n2)Cl)F
• InChI: InChI=1S/C14H12ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5-7H,2-4H2,1H3
• InChIKey: RWCZOVMOKFTUAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
• IUPAC传统名: ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
• 别名: Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

登记号

• CAS号: 96568-07-9
• MDL号: MFCD08458313
• PubChem SID: 180677310
• PubChem CID: 11722954

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.918414
• LogD (pH = 7.4): 2.918414
• Log P: 2.918414
• 摩尔折射率: 76.2958 cm^3
• 极化性: 28.071352 Å^3
• 极化表面积: 59.5 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%; 97%