3,5-dichloro-2-iodopyrazine

• ChemBase ID: 288924
• Molecular Formular: C4HCl2IN2
• Molecular Mass: 274.87461
• Monoisotopic Mass: 273.8561514
• SMILES: Ic1ncc(Cl)nc1Cl
• Canonical SMILES: Clc1cnc(c(n1)Cl)I
• InChI: InChI=1S/C4HCl2IN2/c5-2-1-8-4(7)3(6)9-2/h1H
• InChIKey: AEULAQIUCSOQQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 136866-30-3
• PubChem SID: 180674455
• PubChem CID: 15696844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1478767
• LogD (pH = 7.4): 2.1478767
• Log P: 2.1478767
• Molar Refractivity: 46.547 cm^3
• Polarizability: 18.148615 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%