7-iodopyrido[2,3-b]pyrazine

• ChemBase ID: 64793
• Molecular Formular: C7H4IN3
• Molecular Mass: 257.03123
• Monoisotopic Mass: 256.94499514
• SMILES: c1c(cc2c(n1)nccn2)I
• Canonical SMILES: Ic1cnc2c(c1)nccn2
• InChI: InChI=1S/C7H4IN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H
• InChIKey: FYCNIEVXOCZGKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-iodopyrido[2,3-b]pyrazine
• IUPAC Traditional name: 7-iodopyrido[2,3-b]pyrazine
• Synonyms: 7-Iodopyrido[2,3-b]pyrazine

Database IDs

• CAS Number: 1120214-98-3
• MDL Number: MFCD11706997
• PubChem SID: 162030532
• PubChem CID: 37819226

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3352721
• LogD (pH = 7.4): 1.335354
• Log P: 1.3353549
• Molar Refractivity: 50.2288 cm^3
• Polarizability: 19.681376 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%