7-bromoimidazo[1,2-a]pyridine

• ChemBase ID: 64813
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c1(ccn2c(c1)ncc2)Br
• Canonical SMILES: Brc1ccn2c(c1)ncc2
• InChI: InChI=1S/C7H5BrN2/c8-6-1-3-10-4-2-9-7(10)5-6/h1-5H
• InChIKey: OASOJRLJBDCVNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-bromoimidazo[1,2-a]pyridine
• Synonyms: 7-Bromoimidazo[1,2-a]pyridine; 7-Bromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 808744-34-5
• MDL Number: MFCD07778353
• PubChem SID: 162030552
• PubChem CID: 15098903

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8107684
• LogD (pH = 7.4): 1.492418
• Log P: 1.5283021
• Molar Refractivity: 43.5592 cm^3
• Polarizability: 16.121843 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-120°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 97%