2-(4-methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide

• ChemBase ID: 73466
• Molecular Formular: C14H13BrN2O
• Molecular Mass: 305.16982
• Monoisotopic Mass: 304.02112505
• SMILES: n1c2n(cccc2)cc1c1ccc(cc1)OC.Br
• Canonical SMILES: COc1ccc(cc1)c1nc2n(c1)cccc2.Br
• InChI: InChI=1S/C14H12N2O.BrH/c1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13;/h2-10H,1H3;1H
• InChIKey: DKAUBYPVNZWKNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide
• IUPAC Traditional name: 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide
• Synonyms: 2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine hydrobromide

Database IDs

• CAS Number: 31563-00-5
• MDL Number: MFCD06245389
• PubChem SID: 162038386
• PubChem CID: 2771692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2682495
• LogD (pH = 7.4): 2.6274726
• Log P: 2.6349537
• Molar Refractivity: 67.1638 cm^3
• Polarizability: 26.803059 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic