methyl 2-phenylimidazo[1,2-a]pyridine-6-carboxylate

• ChemBase ID: 41263
• Molecular Formular: C15H12N2O2
• Molecular Mass: 252.26798
• Monoisotopic Mass: 252.08987763
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C15H12N2O2/c1-19-15(18)12-7-8-14-16-13(10-17(14)9-12)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: WMTWCOINJCALHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-phenylimidazo[1,2-a]pyridine-6-carboxylate
• IUPAC Traditional name: methyl 2-phenylimidazo[1,2-a]pyridine-6-carboxylate
• Synonyms: Methyl 2-phenylimidazo[1,2-a]pyridine-6-carboxylate

Database IDs

• CAS Number: 962-24-3
• MDL Number: MFCD07698590
• PubChem SID: 162046026
• PubChem CID: 7062224

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6674638
• LogD (pH = 7.4): 2.794202
• Log P: 2.796102
• Molar Refractivity: 72.7259 cm^3
• Polarizability: 28.672178 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183 °C; 181-183°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%