3,5-dichloro-2,6-difluoro-4-methylpyridine

• ChemBase ID: 297156
• Molecular Formular: C6H3Cl2F2N
• Molecular Mass: 197.9975264
• Monoisotopic Mass: 196.9610609
• SMILES: Cc1c(c(nc(c1Cl)F)F)Cl
• Canonical SMILES: Fc1nc(F)c(c(c1Cl)C)Cl
• InChI: InChI=1S/C6H3Cl2F2N/c1-2-3(7)5(9)11-6(10)4(2)8/h1H3
• InChIKey: AEQZLGOQOKWZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2,6-difluoro-4-methylpyridine
• IUPAC Traditional name: 3,5-dichloro-2,6-difluoro-4-methylpyridine
• Synonyms: 3,5-Difluoro-2,6-difluoro-4-picoline; 3,5-Dichloro-2,6-difluoro-4-methylpyridine

Database IDs

• MDL Number: MFCD20040114
• PubChem SID: 180682687
• PubChem CID: 54345490

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5503492
• LogD (pH = 7.4): 3.5503492
• Log P: 3.5503492
• Molar Refractivity: 41.0141 cm^3
• Polarizability: 14.739188 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5080

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%