6,7-dichloroquinoxalin-2-ol

• ChemBase ID: 75297
• Molecular Formular: C8H4Cl2N2O
• Molecular Mass: 215.03616
• Monoisotopic Mass: 213.97006812
• SMILES: n1c(cnc2cc(c(cc12)Cl)Cl)O
• Canonical SMILES: Oc1cnc2c(n1)cc(c(c2)Cl)Cl
• InChI: InChI=1S/C8H4Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)
• InChIKey: BDVJLKWSNDCCPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloroquinoxalin-2-ol
• IUPAC Traditional name: 6,7-dichloroquinoxalin-2-ol
• Synonyms: 2-Hydroxy-6,7-dichloroquinoxaline

Database IDs

• CAS Number: 78470-95-8
• MDL Number: MFCD04038949
• PubChem SID: 162040215
• PubChem CID: 14423636

CALCULATED PROPERTIES

• Acid pKa: 11.539018
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7980583
• LogD (pH = 7.4): 2.7980287
• Log P: 2.79806
• Molar Refractivity: 49.3544 cm^3
• Polarizability: 20.462488 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true