5-(4-fluorophenyl)pyridin-2-amine

• ChemBase ID: 292081
• Molecular Formular: C11H9FN2
• Molecular Mass: 188.2009632
• Monoisotopic Mass: 188.07497652
• SMILES: Nc1ncc(c2ccc(F)cc2)cc1
• Canonical SMILES: Fc1ccc(cc1)c1ccc(nc1)N
• InChI: InChI=1S/C11H9FN2/c12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9/h1-7H,(H2,13,14)
• InChIKey: MQBSATGBKLUKNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)pyridin-2-amine
• Synonyms: 5-(4-Fluorophenyl)pyridin-2-amine; 5-(4-FLUOROPHENYL)-2-PYRIDINAMINE

Database IDs

• CAS Number: 503536-73-0
• MDL Number: MFCD06802133
• PubChem SID: 180677612
• PubChem CID: 22504802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4987048
• LogD (pH = 7.4): 2.2758343
• Log P: 2.3110323
• Molar Refractivity: 54.2676 cm^3
• Polarizability: 21.165974 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%