3-methylimidazo[1,2-a]pyridine

• ChemBase ID: 63077
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c1cc2n(cc1)c(cn2)C
• Canonical SMILES: Cc1cnc2n1cccc2
• InChI: InChI=1S/C8H8N2/c1-7-6-9-8-4-2-3-5-10(7)8/h2-6H,1H3
• InChIKey: DLTHEPWEENQLKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-methylimidazo[1,2-a]pyridine
• Synonyms: 3-Methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 5857-45-4
• MDL Number: MFCD09834779
• PubChem SID: 162028816
• PubChem CID: 12230338

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.011076861
• LogD (pH = 7.4): 0.8027564
• Log P: 0.95911074
• Molar Refractivity: 41.0861 cm^3
• Polarizability: 15.050159 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%