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

• ChemBase ID: 291779
• Molecular Formular: C14H12ClFN2O3
• Molecular Mass: 310.7080832
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
• IUPAC Traditional name: ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
• Synonyms: Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.918414
• LogD (pH = 7.4): 2.918414
• Log P: 2.918414
• Molar Refractivity: 76.2958 cm^3
• Polarizability: 28.071352 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%