pyridin-1-ium tribromide

• ChemBase ID: 180204
• Molecular Formular: C5H6Br3N--
• Molecular Mass: 319.81984
• Monoisotopic Mass: 316.8050352
• SMILES: [nH+]1ccccc1.[Br-].[Br-].[Br-]
• Canonical SMILES: c1ccc[nH+]c1.[Br-].[Br-].[Br-]
• InChI: InChI=1S/C5H5N.3BrH/c1-2-4-6-5-3-1;;;/h1-5H;3*1H/p-2
• InChIKey: ZPATUOFYXSBHMN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-1-ium tribromide
• IUPAC Traditional name: pyridium tribromide
• Synonyms: Pyridinium tribromide

Database IDs

• CAS Number: 39416-48-3
• PubChem SID: 164236114
• PubChem CID: 51003668

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 25.1598 cm^3
• Polarizability: 9.677758 Å^3
• Polar Surface Area: 14.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true