2-(2-chloro-4-fluorophenoxymethyl)-8-methylimidazo[1,2-a]pyridine

• ChemBase ID: 264848
• Molecular Formular: C15H12ClFN2O
• Molecular Mass: 290.7199832
• Monoisotopic Mass: 290.06221891
• SMILES: c12n(cc(n1)COc1c(cc(cc1)F)Cl)cccc2C
• Canonical SMILES: Fc1ccc(c(c1)Cl)OCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C15H12ClFN2O/c1-10-3-2-6-19-8-12(18-15(10)19)9-20-14-5-4-11(17)7-13(14)16/h2-8H,9H2,1H3
• InChIKey: KYQJFRYOHIIHQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-fluorophenoxymethyl)-8-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(2-chloro-4-fluorophenoxymethyl)-8-methylimidazo[1,2-a]pyridine
• Synonyms: 2-(2-chloro-4-fluorophenoxymethyl)-8-methylimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD07345991
• PubChem SID: 164320758
• PubChem CID: 8005457

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.13603
• LogD (pH = 7.4): 3.6540773
• Log P: 3.6679912
• Molar Refractivity: 76.5524 cm^3
• Polarizability: 28.735579 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 4.407

Product Information

• Purity: 95%