2-chloro-6-(naphthalen-2-yl)pyrazine

• ChemBase ID: 795730
• Molecular Formular: C14H9ClN2
• Molecular Mass: 240.68766
• Monoisotopic Mass: 240.04542598
• SMILES: c1c(nc(cn1)c1ccc2c(cccc2)c1)Cl
• Canonical SMILES: Clc1cncc(n1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H9ClN2/c15-14-9-16-8-13(17-14)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
• InChIKey: IRRFYAJVGXBALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(naphthalen-2-yl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(naphthalen-2-yl)pyrazine
• Synonyms: 2-Chloro-6-(naphthalen-2-yl)pyrazine

Database IDs

• CAS Number: 875900-51-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3846748
• LogD (pH = 7.4): 3.3846753
• Log P: 3.3846753
• Molar Refractivity: 68.8247 cm^3
• Polarizability: 29.037045 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%