7-amino-1,8-naphthyridin-2-ol

• ChemBase ID: 160190
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: c1cc(nc2c1ccc(n2)O)N
• Canonical SMILES: Nc1ccc2c(n1)nc(cc2)O
• InChI: InChI=1S/C8H7N3O/c9-6-3-1-5-2-4-7(12)11-8(5)10-6/h1-4H,(H3,9,10,11,12)
• InChIKey: NSPQTGOJGZXAJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-1,8-naphthyridin-2-ol
• IUPAC Traditional name: 7-amino-1,8-naphthyridin-2-ol
• Synonyms: 2-Amino-1,8-naphthyridin-7-ol; 7-Amino-1,8-naphthyridin-2-one; 2-Amino-7-hydroxy-1,8-naphthridine

Database IDs

• CAS Number: 1931-44-8
• PubChem SID: 162254325
• PubChem CID: 5464536

CALCULATED PROPERTIES

• Acid pKa: 10.428815
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2945402
• LogD (pH = 7.4): 1.2942538
• Log P: 1.2946564
• Molar Refractivity: 46.7035 cm^3
• Polarizability: 17.11528 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; DMSO
• Apperance: Yellow-Brown Solid
• Melting Point: >335°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer

REFERENCES

• Goswami, S., et al.: Mol., 10, 929 (2005)