2-methylimidazo[1,2-a]pyridine

• ChemBase ID: 251210
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n12c(nc(c1)C)cccc2
• Canonical SMILES: Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C8H8N2/c1-7-6-10-5-3-2-4-8(10)9-7/h2-6H,1H3
• InChIKey: BZACBBRLMWHCNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-methylimidazo[1,2-a]pyridine
• Synonyms: 2-Methylimidazo[1,2-a]pyridine; 2-methylimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD02251330
• PubChem SID: 164307120
• PubChem CID: 136742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.037669767
• LogD (pH = 7.4): 0.8414296
• Log P: 0.89091957
• Molar Refractivity: 40.5279 cm^3
• Polarizability: 15.053893 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-44°C
• Boiling Point: 148°C/20mm
• Hydrophobicity(logP): 1.475

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-P501A

Product Information

• Purity: 95%