quinoxalin-6-ol

• ChemBase ID: 244446
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c12cc(ccc2nccn1)O
• Canonical SMILES: Oc1ccc2c(c1)nccn2
• InChI: InChI=1S/C8H6N2O/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,11H
• InChIKey: RQPVXTQTNVVKEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoxalin-6-ol
• IUPAC Traditional name: quinoxalin-6-ol
• Synonyms: quinoxalin-6-ol

Database IDs

• CAS Number: 7467-91-6
• MDL Number: MFCD07364440
• PubChem SID: 164300356
• PubChem CID: 343966

CALCULATED PROPERTIES

• Acid pKa: 8.677005
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9950324
• LogD (pH = 7.4): 0.9732885
• Log P: 0.995513
• Molar Refractivity: 39.4313 cm^3
• Polarizability: 16.666811 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 - 227°C
• Hydrophobicity(logP): 1.581

Product Information

• Purity: 95%; 95+%