2,5-dichloro-3-phenylpyrazine

• ChemBase ID: 247477
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: n1c(c(ncc1Cl)Cl)c1ccccc1
• Canonical SMILES: Clc1cnc(c(n1)c1ccccc1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-8-6-13-10(12)9(14-8)7-4-2-1-3-5-7/h1-6H
• InChIKey: UVHFTHLANSFULO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-3-phenylpyrazine
• IUPAC Traditional name: 2,5-dichloro-3-phenylpyrazine
• Synonyms: 2,5-dichloro-3-phenylpyrazine

Database IDs

• MDL Number: MFCD12022593
• PubChem SID: 164303387
• PubChem CID: 12405792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2194204
• LogD (pH = 7.4): 3.2194204
• Log P: 3.2194204
• Molar Refractivity: 58.2406 cm^3
• Polarizability: 23.377445 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): 3.014

Product Information

• Purity: 95%