4-amino-1-methylpyridin-1-ium iodide

• ChemBase ID: 81851
• Molecular Formular: C6H9IN2
• Molecular Mass: 236.05353
• Monoisotopic Mass: 235.9810463
• SMILES: [n+]1(ccc(cc1)N)C.[I-]
• Canonical SMILES: C[n+]1ccc(cc1)N.[I-]
• InChI: InChI=1S/C6H8N2.HI/c1-8-4-2-6(7)3-5-8;/h2-5,7H,1H3;1H
• InChIKey: AHVSCCKCLMPVIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-methylpyridin-1-ium iodide
• IUPAC Traditional name: 4-amino-1-methylpyridin-1-ium iodide
• Synonyms: 4-amino-1-methylpyridinium iodide

Database IDs

• MDL Number: MFCD00219143
• PubChem SID: 162068970
• PubChem CID: 2777840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -4.0167227
• LogD (pH = 7.4): -4.016721
• Log P: -4.016721
• Molar Refractivity: 34.7569 cm^3
• Polarizability: 12.575832 Å^3
• Polar Surface Area: 29.9 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true