5-chloro-2-methoxy-1,6-naphthyridine

• ChemBase ID: 800467
• Molecular Formular: C9H7ClN2O
• Molecular Mass: 194.61768
• Monoisotopic Mass: 194.02469053
• SMILES: c1c(nc2ccnc(c2c1)Cl)OC
• Canonical SMILES: COc1ccc2c(n1)ccnc2Cl
• InChI: InChI=1S/C9H7ClN2O/c1-13-8-3-2-6-7(12-8)4-5-11-9(6)10/h2-5H,1H3
• InChIKey: CLQIDTKIOVUEHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxy-1,6-naphthyridine
• IUPAC Traditional name: 5-chloro-2-methoxy-1,6-naphthyridine
• Synonyms: 5-CHLORO-2-METHOXY-1,6-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1742325
• LogD (pH = 7.4): 2.174236
• Log P: 2.174236
• Molar Refractivity: 50.4652 cm^3
• Polarizability: 20.500645 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%