6-methylquinoxalin-2-ol

• ChemBase ID: 75302
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: n1c(cnc2cc(ccc12)C)O
• Canonical SMILES: Cc1ccc2c(c1)ncc(n2)O
• InChI: InChI=1S/C9H8N2O/c1-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-5H,1H3,(H,11,12)
• InChIKey: ZWGSKZGAUDHBPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinoxalin-2-ol
• IUPAC Traditional name: 6-methylquinoxalin-2-ol
• Synonyms: 2-Hydroxy-6-methylquinoxaline

Database IDs

• CAS Number: 5762-64-1
• MDL Number: MFCD04038954
• PubChem SID: 162040220
• PubChem CID: 11275161

CALCULATED PROPERTIES

• Acid pKa: 11.931912
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1032965
• LogD (pH = 7.4): 2.103378
• Log P: 2.103392
• Molar Refractivity: 44.786 cm^3
• Polarizability: 18.436762 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true