3-amino-1,6-naphthyridin-5-ol

• ChemBase ID: 800476
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: c1(cnc2ccnc(c2c1)O)N
• Canonical SMILES: Nc1cnc2c(c1)c(O)ncc2
• InChI: InChI=1S/C8H7N3O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h1-4H,9H2,(H,10,12)
• InChIKey: CBMSXAHZEPHHPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1,6-naphthyridin-5-ol
• IUPAC Traditional name: 3-amino-1,6-naphthyridin-5-ol
• Synonyms: 3-AMINO-1,6-NAPHTHYRIDIN-5-OL

CALCULATED PROPERTIES

• Acid pKa: 10.278869
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.37486473
• LogD (pH = 7.4): 0.374624
• Log P: 0.3751943
• Molar Refractivity: 44.8172 cm^3
• Polarizability: 17.789824 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%