8-chloro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid

• ChemBase ID: 297368
• Molecular Formular: C9H7ClN2O2
• Molecular Mass: 210.61708
• Monoisotopic Mass: 210.01960515
• SMILES: Cc1cc(c2nc(cn2c1)C(=O)O)Cl
• Canonical SMILES: Cc1cn2cc(nc2c(c1)Cl)C(=O)O
• InChI: InChI=1S/C9H7ClN2O2/c1-5-2-6(10)8-11-7(9(13)14)4-12(8)3-5/h2-4H,1H3,(H,13,14)
• InChIKey: YKIKIYMNJMODOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 8-chloro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
• Synonyms: 8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid hydrate

Database IDs

• MDL Number: MFCD22682820
• PubChem SID: 180682899
• PubChem CID: 73995202

CALCULATED PROPERTIES

• Acid pKa: 1.9905878
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.28337592
• LogD (pH = 7.4): -1.500558
• Log P: 0.6407214
• Molar Refractivity: 52.6666 cm^3
• Polarizability: 19.383526 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-184°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%