5-(4-fluoro-3-methoxyphenyl)pyridin-2-amine

• ChemBase ID: 290371
• Molecular Formular: C12H11FN2O
• Molecular Mass: 218.2269432
• Monoisotopic Mass: 218.0855412
• SMILES: Nc1ncc(c2ccc(F)c(OC)c2)cc1
• Canonical SMILES: COc1cc(ccc1F)c1ccc(nc1)N
• InChI: InChI=1S/C12H11FN2O/c1-16-11-6-8(2-4-10(11)13)9-3-5-12(14)15-7-9/h2-7H,1H3,(H2,14,15)
• InChIKey: LBMANGMZSHEEFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluoro-3-methoxyphenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-fluoro-3-methoxyphenyl)pyridin-2-amine
• Synonyms: 5-(4-Fluoro-3-methoxyphenyl)pyridin-2-amine

Database IDs

• CAS Number: 1314988-51-6
• PubChem SID: 180675902
• PubChem CID: 56777446

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3519324
• LogD (pH = 7.4): 2.1193666
• Log P: 2.153361
• Molar Refractivity: 60.7308 cm^3
• Polarizability: 23.674858 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%