2-chloro-3-(thiophen-2-yl)quinoxaline

• ChemBase ID: 87089
• Molecular Formular: C12H7ClN2S
• Molecular Mass: 246.71538
• Monoisotopic Mass: 246.00184691
• SMILES: n1c(c(nc2c1cccc2)Cl)c1cccs1
• Canonical SMILES: Clc1nc2ccccc2nc1c1cccs1
• InChI: InChI=1S/C12H7ClN2S/c13-12-11(10-6-3-7-16-10)14-8-4-1-2-5-9(8)15-12/h1-7H
• InChIKey: FBYUCZXMDOQOSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(thiophen-2-yl)quinoxaline
• IUPAC Traditional name: 2-chloro-3-(thiophen-2-yl)quinoxaline
• Synonyms: 2-chloro-3-(2-thienyl)quinoxaline

Database IDs

• MDL Number: MFCD00113362
• PubChem SID: 162074205
• PubChem CID: 2801655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9335237
• LogD (pH = 7.4): 3.933524
• Log P: 3.933524
• Molar Refractivity: 64.9706 cm^3
• Polarizability: 27.64362 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true