2-iodo-5-methoxypyrazine

• ChemBase ID: 292906
• Molecular Formular: C5H5IN2O
• Molecular Mass: 236.01047
• Monoisotopic Mass: 235.94466079
• SMILES: COc1ncc(I)nc1
• Canonical SMILES: COc1cnc(cn1)I
• InChI: InChI=1S/C5H5IN2O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
• InChIKey: DKFAIJRBHBVJEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-5-methoxypyrazine
• IUPAC Traditional name: 2-iodo-5-methoxypyrazine
• Synonyms: 2-Iodo-5-methoxypyrazine

Database IDs

• CAS Number: 942624-06-8
• PubChem SID: 180678437
• PubChem CID: 70700956

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.93621933
• LogD (pH = 7.4): 0.93621933
• Log P: 0.93621933
• Molar Refractivity: 41.5915 cm^3
• Polarizability: 16.53894 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%