1,5-naphthyridin-4-ol

• ChemBase ID: 70891
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n1ccc(c2ncccc12)O
• Canonical SMILES: Oc1ccnc2c1nccc2
• InChI: InChI=1S/C8H6N2O/c11-7-3-5-9-6-2-1-4-10-8(6)7/h1-5H,(H,9,11)
• InChIKey: NSPLFNGUPLZYHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-naphthyridin-4-ol
• IUPAC Traditional name: 1,5-naphthyridin-4-ol
• Synonyms: 4-Hydroxy-1,5-naphthyridine; 1,5-naphthyridin-4-ol

Database IDs

• CAS Number: 5423-54-1
• MDL Number: MFCD00234402
• PubChem SID: 162036599
• PubChem CID: 224584

CALCULATED PROPERTIES

• Acid pKa: 9.6231365
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.99499476
• LogD (pH = 7.4): 0.9929652
• Log P: 0.995513
• Molar Refractivity: 39.4313 cm^3
• Polarizability: 16.662891 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%