1,6-naphthyridin-5-ol

• ChemBase ID: 812814
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c1cnc2ccnc(c2c1)O
• Canonical SMILES: Oc1nccc2c1cccn2
• InChI: InChI=1S/C8H6N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-5H,(H,10,11)
• InChIKey: WTYLPQUOPMMOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23616-31-1

CALCULATED PROPERTIES

• Acid pKa: 10.294031
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2040137
• LogD (pH = 7.4): 1.2035722
• Log P: 1.2041203
• Molar Refractivity: 40.1168 cm^3
• Polarizability: 16.664782 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%