quinoxalin-2-ylmethanol

• ChemBase ID: 263943
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: n1c2c(ncc1CO)cccc2
• Canonical SMILES: OCc1cnc2c(n1)cccc2
• InChI: InChI=1S/C9H8N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-5,12H,6H2
• InChIKey: PZLGAOXMPNXQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoxalin-2-ylmethanol
• IUPAC Traditional name: quinoxalin-2-ylmethanol
• Synonyms: quinoxalin-2-ylmethanol

Database IDs

• MDL Number: MFCD00781872
• PubChem SID: 164319853
• PubChem CID: 905614

CALCULATED PROPERTIES

• Acid pKa: 13.98565
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61316174
• LogD (pH = 7.4): 0.6131999
• Log P: 0.6132005
• Molar Refractivity: 43.7441 cm^3
• Polarizability: 18.526655 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.244

Product Information

• Purity: 95%