ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 44762
• Molecular Formular: C10H9FN2O2
• Molecular Mass: 208.1890632
• Monoisotopic Mass: 208.06480576
• SMILES: c1(nc2n(c1)cc(cc2)F)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)ccc(c2)F
• InChI: InChI=1S/C10H9FN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
• InChIKey: YJKYSWGAJNXRJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 367500-93-4
• MDL Number: MFCD06659035
• PubChem SID: 162049525
• PubChem CID: 40148106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4287597
• LogD (pH = 7.4): 1.4481336
• Log P: 1.4483865
• Molar Refractivity: 52.5547 cm^3
• Polarizability: 19.314623 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 147 °C; 146-147°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%