2-(bromomethyl)pyrazine

• ChemBase ID: 88157
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: n1c(cncc1)CBr
• Canonical SMILES: BrCc1cnccn1
• InChI: InChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
• InChIKey: VNMORBLLLTZLLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)pyrazine
• IUPAC Traditional name: 2-(bromomethyl)pyrazine
• Synonyms: 2-(Bromomethyl)pyrazine

Database IDs

• CAS Number: 60023-35-0
• PubChem SID: 162075186
• PubChem CID: 12752238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.39210695
• LogD (pH = 7.4): 0.39211017
• Log P: 0.3921102
• Molar Refractivity: 34.0724 cm^3
• Polarizability: 13.203431 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Light Sensitive