3,6-dibromopyrazine-2-carbonitrile

• ChemBase ID: 292382
• Molecular Formular: C5HBr2N3
• Molecular Mass: 262.88954
• Monoisotopic Mass: 260.85372105
• SMILES: Brc1nc(C#N)c(Br)nc1
• Canonical SMILES: N#Cc1nc(Br)cnc1Br
• InChI: InChI=1S/C5HBr2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H
• InChIKey: UOAUGAJRAONOHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromopyrazine-2-carbonitrile
• IUPAC Traditional name: 3,6-dibromopyrazine-2-carbonitrile
• Synonyms: 3,6-Dibromopyrazine-2-carbonitrile

Database IDs

• CAS Number: 1351238-11-3
• MDL Number: MFCD22199269
• PubChem SID: 180677913
• PubChem CID: 70701070

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7283968
• LogD (pH = 7.4): 1.7283968
• Log P: 1.7283968
• Molar Refractivity: 44.0238 cm^3
• Polarizability: 16.67551 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%