{imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide

• ChemBase ID: 281101
• Molecular Formular: C11H16IN3
• Molecular Mass: 317.16931
• Monoisotopic Mass: 317.03889553
• SMILES: n12c(cnc1cccc2)C[N+](C)(C)C.[I-]
• Canonical SMILES: C[N+](Cc1cnc2n1cccc2)(C)C.[I-]
• InChI: InChI=1S/C11H16N3.HI/c1-14(2,3)9-10-8-12-11-6-4-5-7-13(10)11;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
• InChIKey: VRNROAGRTRKHKT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide
• Synonyms: {imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide

Database IDs

• MDL Number: MFCD09955501
• PubChem SID: 180666632
• PubChem CID: 14602276

CALCULATED PROPERTIES

• Acid pKa: 18.332842
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9176102
• LogD (pH = 7.4): -3.5499184
• Log P: -3.5413892
• Molar Refractivity: 70.2702 cm^3
• Polarizability: 22.112133 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): -3.174

Product Information

• Purity: 95%