2-phenylimidazo[1,2-a]pyridin-8-amine hydrobromide

• ChemBase ID: 72224
• Molecular Formular: C13H12BrN3
• Molecular Mass: 290.15848
• Monoisotopic Mass: 289.0214594
• SMILES: n1c2n(cc1c1ccccc1)cccc2N.Br
• Canonical SMILES: Nc1cccn2c1nc(c2)c1ccccc1.Br
• InChI: InChI=1S/C13H11N3.BrH/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10;/h1-9H,14H2;1H
• InChIKey: INJAINUUGCHFBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylimidazo[1,2-a]pyridin-8-amine hydrobromide
• IUPAC Traditional name: 2-phenylimidazo[1,2-a]pyridin-8-amine hydrobromide
• Synonyms: 2-Phenylimidazo[1,2-a]pyridin-8-amine hydrobromide

Database IDs

• PubChem SID: 162104271
• PubChem CID: 53444460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3672043
• LogD (pH = 7.4): 1.9463983
• Log P: 1.9636991
• Molar Refractivity: 65.401 cm^3
• Polarizability: 25.445446 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT