2-(2-fluorophenoxy)pyridin-3-amine

• ChemBase ID: 93875
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: n1c(c(ccc1)N)Oc1ccccc1F
• Canonical SMILES: Fc1ccccc1Oc1ncccc1N
• InChI: InChI=1S/C11H9FN2O/c12-8-4-1-2-6-10(8)15-11-9(13)5-3-7-14-11/h1-7H,13H2
• InChIKey: IGBWSEKNQXELDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)pyridin-3-amine
• IUPAC Traditional name: 2-(2-fluorophenoxy)pyridin-3-amine
• Synonyms: 3-Amino-2-(2-fluorophenoxy)pyridine 98%

Database IDs

• CAS Number: 175135-66-7
• MDL Number: MFCD00067806
• PubChem SID: 162080530
• PubChem CID: 2735920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1638505
• LogD (pH = 7.4): 2.164091
• Log P: 2.164094
• Molar Refractivity: 55.3722 cm^3
• Polarizability: 20.570147 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89°C

Safety Information

• Storage Warning: Irritant