1-(4-aminophenyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 287904
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: O=c1ccccn1c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)n1ccccc1=O
• InChI: InChI=1S/C11H10N2O/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1-8H,12H2
• InChIKey: LXFHLDJQBIZFOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminophenyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-(4-aminophenyl)pyridin-2-one
• Synonyms: 1-(4-Aminophenyl)-1H-pyridin-2-one

Database IDs

• CAS Number: 13143-47-0
• PubChem SID: 180673435
• PubChem CID: 11535695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0615182
• LogD (pH = 7.4): 1.0694681
• Log P: 1.0695704
• Molar Refractivity: 57.42 cm^3
• Polarizability: 20.657341 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%