2,3-bis(pyridin-2-yl)quinoxaline

• ChemBase ID: 112428
• Molecular Formular: C18H12N4
• Molecular Mass: 284.31468
• Monoisotopic Mass: 284.1061964
• SMILES: c1ccc(nc1)c1nc2ccccc2nc1c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1nc2ccccc2nc1c1ccccn1
• InChI: InChI=1S/C18H12N4/c1-2-8-14-13(7-1)21-17(15-9-3-5-11-19-15)18(22-14)16-10-4-6-12-20-16/h1-12H
• InChIKey: ILLTYNYTHFEGHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(pyridin-2-yl)quinoxaline
• IUPAC Traditional name: 2,3-bis(pyridin-2-yl)quinoxaline
• Synonyms: 2,3-bis(2-PYRIDYL)QUINOXALINE

Database IDs

• CAS Number: 23309-74-2
• PubChem SID: 162098187
• PubChem CID: 97023

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7008204
• LogD (pH = 7.4): 3.701576
• Log P: 3.7015855
• Molar Refractivity: 81.921 cm^3
• Polarizability: 36.43046 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223883

MP Biomedicals Rare Chemical collection