2,6-dichloro-3-fluoropyridine

• ChemBase ID: 68435
• Molecular Formular: C5H2Cl2FN
• Molecular Mass: 165.9804832
• Monoisotopic Mass: 164.95483265
• SMILES: c1(c(ccc(n1)Cl)F)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)F
• InChI: InChI=1S/C5H2Cl2FN/c6-4-2-1-3(8)5(7)9-4/h1-2H
• InChIKey: YAXSIJLRAOURJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-fluoropyridine
• IUPAC Traditional name: 2,6-dichloro-3-fluoropyridine
• Synonyms: 2,6-Dichloro-3-fluoropyridine

Database IDs

• CAS Number: 52208-50-1
• MDL Number: MFCD09907815
• PubChem SID: 162034166
• PubChem CID: 13290751

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.546719
• LogD (pH = 7.4): 2.546719
• Log P: 2.546719
• Molar Refractivity: 35.8497 cm^3
• Polarizability: 13.195016 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%