8-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid

• ChemBase ID: 73858
• Molecular Formular: C8H4BrClN2O2
• Molecular Mass: 275.48656
• Monoisotopic Mass: 273.91446706
• SMILES: n1c2n(cc(cc2Br)Cl)cc1C(=O)O
• Canonical SMILES: Clc1cn2cc(nc2c(c1)Br)C(=O)O
• InChI: InChI=1S/C8H4BrClN2O2/c9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h1-3H,(H,13,14)
• InChIKey: MVFTVGMWGOEQDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 8-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
• Synonyms: 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrate; 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid

Database IDs

• MDL Number: MFCD09836172; MFCD22682816
• PubChem SID: 162038777
• PubChem CID: 26369198

CALCULATED PROPERTIES

• Acid pKa: 1.9799802
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.061554752
• LogD (pH = 7.4): -1.2565591
• Log P: 1.0493208
• Molar Refractivity: 55.2482 cm^3
• Polarizability: 20.66536 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215-217°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 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%