2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114272
• Molecular Formular: C14H12FN3
• Molecular Mass: 241.2635832
• Monoisotopic Mass: 241.10152562
• SMILES: n12c(nc(c1N)c1ccc(cc1)F)cc(cc2)C
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1N)ccc(c2)C
• InChI: InChI=1S/C14H12FN3/c1-9-6-7-18-12(8-9)17-13(14(18)16)10-2-4-11(15)5-3-10/h2-8H,16H2,1H3
• InChIKey: UUEFHKAYLSLHJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(4-fluorophenyl)-7-methylimidazo[1,2-{a}]pyridin-3-amine; 2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD06655296
• PubChem SID: 162099413
• PubChem CID: 4961846

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4583215
• LogD (pH = 7.4): 2.5575807
• Log P: 2.7091136
• Molar Refractivity: 69.9119 cm^3
• Polarizability: 26.779324 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Partition Coefficient: 2.603
• Hydrophobicity(logP): 3.647

Product Information

• Purity: 95%; 95+%