2,4,6-tribromo-3,5-difluoropyridine

• ChemBase ID: 99667
• Molecular Formular: C5Br3F2N
• Molecular Mass: 351.7690064
• Monoisotopic Mass: 348.75489145
• SMILES: n1c(c(c(c(c1Br)F)Br)F)Br
• Canonical SMILES: Brc1nc(Br)c(c(c1F)Br)F
• InChI: InChI=1S/C5Br3F2N/c6-1-2(9)4(7)11-5(8)3(1)10
• InChIKey: GKWOSYZICRXPCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-tribromo-3,5-difluoropyridine
• IUPAC Traditional name: 2,4,6-tribromo-3,5-difluoropyridine
• Synonyms: 3,5-Difluoro-2,4,6-tribromopyridine

Database IDs

• CAS Number: 30841-93-1
• MDL Number: MFCD03093767
• PubChem SID: 162085926
• PubChem CID: 2778700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.758279
• LogD (pH = 7.4): 3.758279
• Log P: 3.758279
• Molar Refractivity: 48.8867 cm^3
• Polarizability: 18.809446 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant