2-methoxy-1,6-naphthyridin-5-ol

• ChemBase ID: 800468
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: c1c(nc2ccnc(c2c1)O)OC
• Canonical SMILES: COc1ccc2c(n1)ccnc2O
• InChI: InChI=1S/C9H8N2O2/c1-13-8-3-2-6-7(11-8)4-5-10-9(6)12/h2-5H,1H3,(H,10,12)
• InChIKey: MPLJWVKJXJLRAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1,6-naphthyridin-5-ol
• IUPAC Traditional name: 2-methoxy-1,6-naphthyridin-5-ol
• Synonyms: 2-METHOXY-1,6-NAPHTHYRIDIN-5-OL

CALCULATED PROPERTIES

• Acid pKa: 10.463115
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6408525
• LogD (pH = 7.4): 1.6405352
• Log P: 1.6409066
• Molar Refractivity: 46.8935 cm^3
• Polarizability: 19.172085 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%