2,4-dichloro-3-fluoropyridine

• ChemBase ID: 289311
• Molecular Formular: C5H2Cl2FN
• Molecular Mass: 165.9804832
• Monoisotopic Mass: 164.95483265
• SMILES: Fc1c(Cl)ccnc1Cl
• Canonical SMILES: Fc1c(Cl)ccnc1Cl
• InChI: InChI=1S/C5H2Cl2FN/c6-3-1-2-9-5(7)4(3)8/h1-2H
• InChIKey: YYLNWRWYEJBBQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-fluoropyridine
• IUPAC Traditional name: 2,4-dichloro-3-fluoropyridine
• Synonyms: 2,4-Dichloro-3-fluoropyridine

Database IDs

• CAS Number: 628691-85-0
• MDL Number: MFCD12196994
• PubChem SID: 180674842
• PubChem CID: 20042885

CALCULATED PROPERTIES

• Molar Refractivity: 34.7884 cm^3
• Polarizability: 13.1690035 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.326542
• LogD (pH = 7.4): 2.326542
• Log P: 2.326542

PROPERTIES

Product Information

• Purity: 95+%; 96%