6-(4-fluorophenoxy)pyridin-3-amine

• ChemBase ID: 258289
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: n1c(Oc2ccc(F)cc2)ccc(c1)N
• Canonical SMILES: Fc1ccc(cc1)Oc1ccc(cn1)N
• InChI: InChI=1S/C11H9FN2O/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11/h1-7H,13H2
• InChIKey: KJADQTVNOQCJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(4-fluorophenoxy)pyridin-3-amine
• Synonyms: 6-(4-fluorophenoxy)pyridin-3-amine; 6-(4-fluorophenoxy)-3-pyridinamine

Database IDs

• CAS Number: 143071-78-7
• MDL Number: MFCD00052797
• PubChem SID: 164314199
• PubChem CID: 421224

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1637778
• LogD (pH = 7.4): 2.1640902
• Log P: 2.164094
• Molar Refractivity: 55.3722 cm^3
• Polarizability: 20.56817 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47 - 49°C
• Hydrophobicity(logP): 2.559

Product Information

• Purity: 95%