2-chloro-5-phenylpyrazine

• ChemBase ID: 61833
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: c1(cnc(cn1)c1ccccc1)Cl
• Canonical SMILES: Clc1cnc(cn1)c1ccccc1
• InChI: InChI=1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-phenylpyrazine
• IUPAC Traditional name: 2-chloro-5-phenylpyrazine
• Synonyms: 2-Chloro-5-phenylpyrazine

Database IDs

• CAS Number: 25844-73-9
• MDL Number: MFCD03268585
• PubChem SID: 162027572
• PubChem CID: 1236664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3951983
• LogD (pH = 7.4): 2.3951986
• Log P: 2.3951986
• Molar Refractivity: 52.3745 cm^3
• Polarizability: 21.441685 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%