6-(3-fluorophenoxy)pyridin-3-amine

• ChemBase ID: 258718
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: n1c(Oc2cc(F)ccc2)ccc(c1)N
• Canonical SMILES: Nc1ccc(nc1)Oc1cccc(c1)F
• InChI: InChI=1S/C11H9FN2O/c12-8-2-1-3-10(6-8)15-11-5-4-9(13)7-14-11/h1-7H,13H2
• InChIKey: ZEDOBTDHLFLYOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluorophenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(3-fluorophenoxy)pyridin-3-amine
• Synonyms: 6-(3-fluorophenoxy)pyridin-3-amine

Database IDs

• CAS Number: 954252-97-2
• MDL Number: MFCD09736644
• PubChem SID: 164314628
• PubChem CID: 16789868

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1637855
• LogD (pH = 7.4): 2.1640902
• Log P: 2.164094
• Molar Refractivity: 55.3722 cm^3
• Polarizability: 20.568346 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.559

Product Information

• Purity: 95%