6-bromoimidazo[1,2-a]pyridine

• ChemBase ID: 42244
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: n12c(ncc2)ccc(c1)Br
• Canonical SMILES: Brc1ccc2n(c1)ccn2
• InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
• InChIKey: FXPMFQUOGYGTAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromoimidazo[1,2-a]pyridine
• Synonyms: 6-Bromoimidazo[1,2-a]pyridine; 6-Bromoimidazo[1,2-a]pyridine; 6-溴咪唑并[1,2-a]吡啶

Database IDs

• CAS Number: 6188-23-4
• MDL Number: MFCD06496200
• PubChem SID: 162047007
• PubChem CID: 2795547

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7332202
• LogD (pH = 7.4): 1.4768006
• Log P: 1.5283021
• Molar Refractivity: 43.5592 cm^3
• Polarizability: 16.124716 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75.5-78°C; 78-80°C; 81 - 83 °C; 81-83°C
• Hydrophobicity(logP): 2.279

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: >97%; 95%; 95+%; 98%