1-amino-2-methylpyridin-1-ium iodide

• ChemBase ID: 89866
• Molecular Formular: C6H9IN2
• Molecular Mass: 236.05353
• Monoisotopic Mass: 235.9810463
• SMILES: [n+]1(ccccc1C)N.[I-]
• Canonical SMILES: Cc1cccc[n+]1N.[I-]
• InChI: InChI=1S/C6H9N2.HI/c1-6-4-2-3-5-8(6)7;/h2-5H,7H2,1H3;1H/q+1;/p-1
• InChIKey: XMFXSCPQGJZSLU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2-methylpyridin-1-ium iodide
• IUPAC Traditional name: 1-amino-2-methylpyridin-1-ium iodide
• Synonyms: 1-amino-2-methylpyridinium iodide; N-Amino-2-picolinium iodide; N-Amino-2-methylpyridinium iodide

Database IDs

• CAS Number: 7583-90-6
• PubChem SID: 162076721
• PubChem CID: 12291507

CALCULATED PROPERTIES

• Acid pKa: 17.247347
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5486858
• LogD (pH = 7.4): -2.5486858
• Log P: -2.6606858
• Molar Refractivity: 35.8956 cm^3
• Polarizability: 12.583022 Å^3
• Polar Surface Area: 29.9 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Light Sensitive/Store under Argon

Product Information

• Purity: 97%