2-chloro-6-phenylpyrazine

• ChemBase ID: 241818
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: n1c(c2ccccc2)cncc1Cl
• Canonical SMILES: Clc1cncc(n1)c1ccccc1
• InChI: InChI=1S/C10H7ClN2/c11-10-7-12-6-9(13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: XSCFGLUXJLGZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-phenylpyrazine
• IUPAC Traditional name: 2-chloro-6-phenylpyrazine
• Synonyms: 2-chloro-6-phenylpyrazine

Database IDs

• CAS Number: 41270-62-6
• MDL Number: MFCD03861157
• PubChem SID: 164297728
• PubChem CID: 5216092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3951979
• LogD (pH = 7.4): 2.3951986
• Log P: 2.3951986
• Molar Refractivity: 52.3745 cm^3
• Polarizability: 21.446196 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.537

Product Information

• Purity: 95%; 98%