5,6,7,8-tetrahydro-1,7-naphthyridin-4-ol

• ChemBase ID: 800510
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1cnc2CNCCc2c1O
• Canonical SMILES: Oc1ccnc2c1CCNC2
• InChI: InChI=1S/C8H10N2O/c11-8-2-4-10-7-5-9-3-1-6(7)8/h2,4,9H,1,3,5H2,(H,10,11)
• InChIKey: DWEVIMCGOGPEOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydro-1,7-naphthyridin-4-ol
• IUPAC Traditional name: 5,6,7,8-tetrahydro-1,7-naphthyridin-4-ol
• Synonyms: 5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDIN-4-OL

Database IDs

• CAS Number: 1260663-31-7

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -1.9782648
• LogD (pH = 7.4): -0.3131879
• Log P: 0.1317173
• Molar Refractivity: 41.9174 cm^3
• Polarizability: 16.272062 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.27288
• H Acceptors: 3

PROPERTIES

Product Information

• Purity: 98%