6-bromo-5,7-dimethyl-1,8-naphthyridin-2-ol

• ChemBase ID: 113984
• Molecular Formular: C10H9BrN2O
• Molecular Mass: 253.09526
• Monoisotopic Mass: 251.98982492
• SMILES: c12nc(c(c(c2ccc(n1)O)C)Br)C
• Canonical SMILES: Oc1ccc2c(n1)nc(c(c2C)Br)C
• InChI: InChI=1S/C10H9BrN2O/c1-5-7-3-4-8(14)13-10(7)12-6(2)9(5)11/h3-4H,1-2H3,(H,12,13,14)
• InChIKey: RWSAGRFNLWDYCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5,7-dimethyl-1,8-naphthyridin-2-ol
• IUPAC Traditional name: 6-bromo-5,7-dimethyl-1,8-naphthyridin-2-ol
• Synonyms: 6-Bromo-5,7-dimethyl-1,8-naphthyridin-2-ol

Database IDs

• MDL Number: MFCD09863854
• PubChem SID: 162098852
• PubChem CID: 42064961

CALCULATED PROPERTIES

• Acid pKa: 10.4288025
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9426606
• LogD (pH = 7.4): 2.942268
• Log P: 2.942669
• Molar Refractivity: 58.9451 cm^3
• Polarizability: 22.303183 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.534

Product Information

• Purity: 95+%