2-phenylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 113844
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: n12c(c(nc1cccc2)c1ccccc1)N
• Canonical SMILES: Nc1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C13H11N3/c14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13/h1-9H,14H2
• InChIKey: RJGJCHYNEWULMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-phenylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-Phenyl-imidazo[1,2-a]pyridin-3-ylamine; 2-Phenylimidazo[1,2-a]pyridin-3-amine

Database IDs

• CAS Number: 3999-29-9
• MDL Number: MFCD01033240
• PubChem SID: 162098894
• PubChem CID: 199307

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8133233
• LogD (pH = 7.4): 1.9080935
• Log P: 2.0529902
• Molar Refractivity: 64.6543 cm^3
• Polarizability: 25.43704 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Partition Coefficient: 2.406
• Hydrophobicity(logP): 3.002

Product Information

• Purity: 95%; 95+%