8-methylimidazo[1,2-a]pyridine

• ChemBase ID: 42235
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c12n(ccn1)cccc2C
• Canonical SMILES: Cc1cccn2c1ncc2
• InChI: InChI=1S/C8H8N2/c1-7-3-2-5-10-6-4-9-8(7)10/h2-6H,1H3
• InChIKey: BJZAXTJBEBNEDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-methylimidazo[1,2-a]pyridine
• Synonyms: 8-Methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 874-10-2
• MDL Number: MFCD05663805
• PubChem SID: 162046998
• PubChem CID: 327957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.366518
• LogD (pH = 7.4): 1.1766427
• Log P: 1.2729708
• Molar Refractivity: 40.9776 cm^3
• Polarizability: 15.052285 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 69 °C @ 0.1 mm Hg; 69°C/0.1mm

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%