6-chloro-2,3-dimethylquinoxaline

• ChemBase ID: 75277
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: n1c(c(nc2cc(ccc12)Cl)C)C
• Canonical SMILES: Clc1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C10H9ClN2/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,1-2H3
• InChIKey: CNNSWSHYGANWBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-dimethylquinoxaline
• IUPAC Traditional name: 6-chloro-2,3-dimethylquinoxaline
• Synonyms: 2,3-Dimethyl-6-chloroquinoxaline

Database IDs

• CAS Number: 17911-93-2
• MDL Number: MFCD00205828
• PubChem SID: 162040195
• PubChem CID: 236280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1658173
• LogD (pH = 7.4): 2.1658628
• Log P: 2.1658633
• Molar Refractivity: 51.4382 cm^3
• Polarizability: 21.448507 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true