pyridin-1-ium

• ChemBase ID: 129196
• Molecular Formular: C5H6N+
• Molecular Mass: 80.10784
• Monoisotopic Mass: 80.0500242
• SMILES: [nH+]1ccccc1
• Canonical SMILES: c1ccc[nH+]c1
• InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/p+1
• InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 16969-45-2
• PubChem SID: 162223493
• PubChem CID: 4989215
• Chemspider ID: 4169387
• Wikipedia Title: Pyridinium

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