6,7-dimethylquinoxalin-2-ol

• ChemBase ID: 75300
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c(cnc2cc(c(cc12)C)C)O
• Canonical SMILES: Oc1cnc2c(n1)cc(c(c2)C)C
• InChI: InChI=1S/C10H10N2O/c1-6-3-8-9(4-7(6)2)12-10(13)5-11-8/h3-5H,1-2H3,(H,12,13)
• InChIKey: YXHOLYSXLHTIOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethylquinoxalin-2-ol
• IUPAC Traditional name: 6,7-dimethylquinoxalin-2-ol
• Synonyms: 2-Hydroxy-6,7-dimethylquinoxaline

Database IDs

• CAS Number: 28082-82-8
• MDL Number: MFCD04038951
• PubChem SID: 162040218
• PubChem CID: 14842748

CALCULATED PROPERTIES

• Acid pKa: 12.009493
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6166682
• LogD (pH = 7.4): 2.616801
• Log P: 2.6168134
• Molar Refractivity: 49.8272 cm^3
• Polarizability: 20.201117 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true