4-chloro-3,5-difluoropyridine

• ChemBase ID: 99920
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: n1cc(c(c(c1)F)Cl)F
• Canonical SMILES: Fc1cncc(c1Cl)F
• InChI: InChI=1S/C5H2ClF2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
• InChIKey: JAPLMZGRFXTEJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3,5-difluoropyridine
• IUPAC Traditional name: 4-chloro-3,5-difluoropyridine
• Synonyms: 4-Chloro-3,5-difluoropyridine; 4-Chloro-3,5-difluoropyridine; 4-氯-3,5-二氟吡啶

Database IDs

• CAS Number: 851178-97-7
• MDL Number: MFCD09998885
• PubChem SID: 162086166
• PubChem CID: 21946065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.645021
• LogD (pH = 7.4): 1.6450219
• Log P: 1.6450219
• Molar Refractivity: 29.1387 cm^3
• Polarizability: 11.001417 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4795

Safety Information

• Storage Warning: Flammable/Harmful
• European Hazard Symbols: X
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338