tribromopyrazin-2-amine

• ChemBase ID: 294900
• Molecular Formular: C4H2Br3N3
• Molecular Mass: 331.79078
• Monoisotopic Mass: 328.77988308
• SMILES: Nc1nc(Br)c(Br)nc1Br
• Canonical SMILES: Brc1nc(Br)c(nc1N)Br
• InChI: InChI=1S/C4H2Br3N3/c5-1-2(6)10-4(8)3(7)9-1/h(H2,8,10)
• InChIKey: CPWUMNABPMFCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromopyrazin-2-amine
• IUPAC Traditional name: tribromopyrazin-2-amine
• Synonyms: 3,5,6-Tribromopyrazin-2-amine

Database IDs

• CAS Number: 66490-61-7
• PubChem SID: 180680431
• PubChem CID: 20368031

CALCULATED PROPERTIES

• Acid pKa: 17.162975
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2262564
• LogD (pH = 7.4): 2.2262564
• Log P: 2.2262564
• Molar Refractivity: 52.1531 cm^3
• Polarizability: 19.28608 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%