2-bromo-1,6-naphthyridin-5-ol

• ChemBase ID: 800465
• Molecular Formular: C8H5BrN2O
• Molecular Mass: 225.0421
• Monoisotopic Mass: 223.95852479
• SMILES: c1c(nc2ccnc(c2c1)O)Br
• Canonical SMILES: Brc1ccc2c(n1)ccnc2O
• InChI: InChI=1S/C8H5BrN2O/c9-7-2-1-5-6(11-7)3-4-10-8(5)12/h1-4H,(H,10,12)
• InChIKey: TYRYSZWDNCGQQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,6-naphthyridin-5-ol
• IUPAC Traditional name: 2-bromo-1,6-naphthyridin-5-ol
• Synonyms: 2-BROMO-1,6-NAPHTHYRIDIN-5-OL

CALCULATED PROPERTIES

• Acid pKa: 10.279421
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1783426
• LogD (pH = 7.4): 2.1778288
• Log P: 2.1783948
• Molar Refractivity: 48.5818 cm^3
• Polarizability: 19.481525 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%