2-chloro-5-iodopyrazine

• ChemBase ID: 66927
• Molecular Formular: C4H2ClIN2
• Molecular Mass: 240.42955
• Monoisotopic Mass: 239.89512375
• SMILES: c1(cnc(cn1)I)Cl
• Canonical SMILES: Clc1ncc(nc1)I
• InChI: InChI=1S/C4H2ClIN2/c5-3-1-8-4(6)2-7-3/h1-2H
• InChIKey: VGYRHYFUTYYEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1057216-55-3
• MDL Number: MFCD09909701
• PubChem SID: 162032663
• PubChem CID: 45789639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3236549
• LogD (pH = 7.4): 1.3236549
• Log P: 1.3236549
• Molar Refractivity: 40.6809 cm^3
• Polarizability: 16.049112 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%