1,8-naphthyridine-2,7-diol

• ChemBase ID: 167851
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: c1cc(nc2c1ccc(n2)O)O
• Canonical SMILES: Oc1ccc2c(n1)nc(cc2)O
• InChI: InChI=1S/C8H6N2O2/c11-6-3-1-5-2-4-7(12)10-8(5)9-6/h1-4H,(H2,9,10,11,12)
• InChIKey: LJALSNRALPCDMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-naphthyridine-2,7-diol
• IUPAC Traditional name: 1,8-naphthyridine-2,7-diol
• Synonyms: 1,8-Naphthyridine-2,7(1H,8H)-dione; 1,8-Naphthyridine-2,7-diol; 2,7-Dihydroxy-1,8-naphthridine

Database IDs

• CAS Number: 49655-93-8
• PubChem SID: 162261984
• PubChem CID: 5250759

CALCULATED PROPERTIES

• Acid pKa: 10.1203985
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8200067
• LogD (pH = 7.4): 1.8192011
• Log P: 1.820017
• Molar Refractivity: 43.984 cm^3
• Polarizability: 16.594564 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; DMSO
• Apperance: Brown Solid