8-bromoimidazo[1,2-a]pyridine

• ChemBase ID: 51447
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c12c(cccn1ccn2)Br
• Canonical SMILES: Brc1cccn2c1ncc2
• InChI: InChI=1S/C7H5BrN2/c8-6-2-1-4-10-5-3-9-7(6)10/h1-5H
• InChIKey: GCCVNNZARPFXES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-bromoimidazo[1,2-a]pyridine
• Synonyms: 8-Bromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 850349-02-9
• MDL Number: MFCD08706060
• PubChem SID: 162056210
• PubChem CID: 17749933

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1279685
• LogD (pH = 7.4): 1.5188092
• Log P: 1.5283021
• Molar Refractivity: 43.5592 cm^3
• Polarizability: 16.13238 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%