2-chloro-5-(2-ethoxypyridin-3-yl)pyrazine

• ChemBase ID: 643890
• Molecular Formular: C11H10ClN3O
• Molecular Mass: 235.6696
• Monoisotopic Mass: 235.05123964
• SMILES: c1(c(nccc1)OCC)c1ncc(nc1)Cl
• Canonical SMILES: CCOc1ncccc1c1cnc(cn1)Cl
• InChI: InChI=1S/C11H10ClN3O/c1-2-16-11-8(4-3-5-13-11)9-6-15-10(12)7-14-9/h3-7H,2H2,1H3
• InChIKey: DNIXXBXWDMDQLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(2-ethoxypyridin-3-yl)pyrazine
• IUPAC Traditional name: 2-chloro-5-(2-ethoxypyridin-3-yl)pyrazine
• Synonyms: 2-chloro-5-(2-ethoxypyridin-3-yl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9709034
• LogD (pH = 7.4): 1.9711176
• Log P: 1.9711202
• Molar Refractivity: 61.7429 cm^3
• Polarizability: 24.90155 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.31
• LOG S: -2.89
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 3