3,5-dichloro-4-fluoropyridine

• ChemBase ID: 293660
• Molecular Formular: C5H2Cl2FN
• Molecular Mass: 165.9804832
• Monoisotopic Mass: 164.95483265
• SMILES: Fc1c(Cl)cncc1Cl
• Canonical SMILES: Clc1cncc(c1F)Cl
• InChI: InChI=1S/C5H2Cl2FN/c6-3-1-9-2-4(7)5(3)8/h1-2H
• InChIKey: RKPKLYSKLVUZKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-fluoropyridine
• IUPAC Traditional name: 3,5-dichloro-4-fluoropyridine
• Synonyms: 3,5-Dichloro-4-fluoropyridine

Database IDs

• CAS Number: 916791-62-3
• MDL Number: MFCD07368620
• PubChem SID: 180679191
• PubChem CID: 34175034

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1063228
• LogD (pH = 7.4): 2.1063643
• Log P: 2.1063647
• Molar Refractivity: 33.7271 cm^3
• Polarizability: 13.135907 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%