5-bromo-3-[2-(trimethylsilyl)ethynyl]pyrazin-2-amine

• ChemBase ID: 288031
• Molecular Formular: C9H12BrN3Si
• Molecular Mass: 270.20118
• Monoisotopic Mass: 268.99838593
• SMILES: C[Si](C)(C)C#Cc1c(N)ncc(Br)n1
• Canonical SMILES: Nc1ncc(nc1C#C[Si](C)(C)C)Br
• InChI: InChI=1S/C9H12BrN3Si/c1-14(2,3)5-4-7-9(11)12-6-8(10)13-7/h6H,1-3H3,(H2,11,12)
• InChIKey: LQJGZEFWBXJKJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-[2-(trimethylsilyl)ethynyl]pyrazin-2-amine
• IUPAC Traditional name: 5-bromo-3-[2-(trimethylsilyl)ethynyl]pyrazin-2-amine
• Synonyms: 5-Bromo-3-((trimethylsilyl)ethynyl)pyrazin-2-amine

Database IDs

• CAS Number: 875781-41-2
• PubChem SID: 180673562
• PubChem CID: 53393189

CALCULATED PROPERTIES

• Acid pKa: 18.82938
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9257953
• LogD (pH = 7.4): 2.9257998
• Log P: 2.9258
• Molar Refractivity: 55.0877 cm^3
• Polarizability: 23.61785 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%