2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine

• ChemBase ID: 142803
• Molecular Formular: C14H11BrN2
• Molecular Mass: 287.15454
• Monoisotopic Mass: 286.01056036
• SMILES: Cc1ccc2nc(cn2c1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
• InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
• Synonyms: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine; 2-(4-溴苯基)-6-甲基咪唑并[1,2-a]吡啶; 2-(4-溴苯基)-6-甲基咪唑[1,2-a]吡啶

Database IDs

• CAS Number: 1023-01-4
• MDL Number: MFCD00444784
• PubChem SID: 24884388; 162237029
• PubChem CID: 837893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5300896
• LogD (pH = 7.4): 4.060262
• Log P: 4.074799
• Molar Refractivity: 73.3646 cm^3
• Polarizability: 28.64927 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214-218 °C; 214-218°C

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Pharmacology Properties

• Gene Information: human ... APP(351)

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H11BrN2

DETAILS

Sigma Aldrich - 658960

Packaging
1 g in glass bottle