5-bromo-3-phenoxypyrazin-2-amine

• ChemBase ID: 292677
• Molecular Formular: C10H8BrN3O
• Molecular Mass: 266.09402
• Monoisotopic Mass: 264.98507389
• SMILES: Nc1ncc(Br)nc1Oc1ccccc1
• Canonical SMILES: Brc1cnc(c(n1)Oc1ccccc1)N
• InChI: InChI=1S/C10H8BrN3O/c11-8-6-13-9(12)10(14-8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13)
• InChIKey: OVCUHGXXMNQADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-phenoxypyrazin-2-amine
• IUPAC Traditional name: 5-bromo-3-phenoxypyrazin-2-amine
• Synonyms: 5Bromo-3-phenoxypyrazin-2-amine

Database IDs

• CAS Number: 548793-12-0
• PubChem SID: 180678208
• PubChem CID: 17956021

CALCULATED PROPERTIES

• Acid pKa: 17.017887
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.372444
• LogD (pH = 7.4): 2.3724518
• Log P: 2.3724518
• Molar Refractivity: 61.7774 cm^3
• Polarizability: 22.908134 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%