5-bromoimidazo[1,2-a]pyridine

• ChemBase ID: 64773
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c1cc(n2c(c1)ncc2)Br
• Canonical SMILES: Brc1cccc2n1ccn2
• InChI: InChI=1S/C7H5BrN2/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H
• InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 5-bromoimidazo[1,2-a]pyridine
• Synonyms: 5-Bromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 69214-09-1
• MDL Number: MFCD08275698
• PubChem SID: 162030512
• PubChem CID: 13037241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.46928865
• LogD (pH = 7.4): 1.1852612
• Log P: 1.2286575
• Molar Refractivity: 43.3412 cm^3
• Polarizability: 16.164778 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/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%