5-iodopyrazine-2-carbonitrile

• ChemBase ID: 814437
• Molecular Formular: C5H2IN3
• Molecular Mass: 230.99395
• Monoisotopic Mass: 230.92934508
• SMILES: c1c(ncc(n1)I)C#N
• Canonical SMILES: Ic1cnc(cn1)C#N
• InChI: InChI=1S/C5H2IN3/c6-5-3-8-4(1-7)2-9-5/h2-3H
• InChIKey: UEARLISXNBMUAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodopyrazine-2-carbonitrile
• IUPAC Traditional name: 5-iodopyrazine-2-carbonitrile
• Synonyms: 5-iodopyrazine-2-carbonitrile

Database IDs

• CAS Number: 1196154-95-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.74137956
• LogD (pH = 7.4): 0.74137956
• Log P: 0.74137956
• Molar Refractivity: 40.1644 cm^3
• Polarizability: 15.8520775 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%