4-(2-bromo-4-fluorophenoxy)pyridine

• ChemBase ID: 257926
• Molecular Formular: C11H7BrFNO
• Molecular Mass: 268.0817832
• Monoisotopic Mass: 266.96950407
• SMILES: c1(c(cc(cc1)F)Br)Oc1ccncc1
• Canonical SMILES: Fc1ccc(c(c1)Br)Oc1ccncc1
• InChI: InChI=1S/C11H7BrFNO/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-7H
• InChIKey: SJVJOTCFTZGJQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromo-4-fluorophenoxy)pyridine
• IUPAC Traditional name: 4-(2-bromo-4-fluorophenoxy)pyridine
• Synonyms: 4-(2-bromo-4-fluorophenoxy)pyridine

Database IDs

• MDL Number: MFCD09929853
• PubChem SID: 164313836
• PubChem CID: 24691576

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.710841
• LogD (pH = 7.4): 3.1545932
• Log P: 3.1673152
• Molar Refractivity: 57.9811 cm^3
• Polarizability: 22.304823 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 3.519

Product Information

• Purity: 95%