5-methylimidazo[1,2-a]pyridine

• ChemBase ID: 42491
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n12c(ncc2)cccc1C
• Canonical SMILES: Cc1cccc2n1ccn2
• InChI: InChI=1S/C8H8N2/c1-7-3-2-4-8-9-5-6-10(7)8/h2-6H,1H3
• InChIKey: YFSMYPDRRLSNTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 5-methylimidazo[1,2-a]pyridine
• Synonyms: 5-Methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 933-69-7
• MDL Number: MFCD06200991
• PubChem SID: 162047254
• PubChem CID: 136740

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.121721946
• LogD (pH = 7.4): 0.8950867
• Log P: 0.95911074
• Molar Refractivity: 41.0861 cm^3
• Polarizability: 15.052491 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96 °C @ 0.7 mm Hg; 96°C/0.7mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%