2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114271
• Molecular Formular: C14H12FN3
• Molecular Mass: 241.2635832
• Monoisotopic Mass: 241.10152562
• SMILES: n12c(nc(c1N)c1ccc(cc1)F)c(ccc2)C
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1N)cccc2C
• InChI: InChI=1S/C14H12FN3/c1-9-3-2-8-18-13(16)12(17-14(9)18)10-4-6-11(15)7-5-10/h2-8H,16H2,1H3
• InChIKey: OXFDLBOOZOCENF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(4-fluorophenyl)-8-methylimidazo[1,2-{a}]pyridin-3-amine

Database IDs

• MDL Number: MFCD06015527
• PubChem SID: 162099168
• PubChem CID: 5297530

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3598828
• LogD (pH = 7.4): 2.4739811
• Log P: 2.7091136
• Molar Refractivity: 69.9119 cm^3
• Polarizability: 26.778997 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.603

Product Information

• Purity: 95+%