2,5-dibromo-3-(trifluoromethyl)pyridine

• ChemBase ID: 288168
• Molecular Formular: C6H2Br2F3N
• Molecular Mass: 304.8899896
• Monoisotopic Mass: 302.85060773
• SMILES: FC(c1cc(Br)cnc1Br)(F)F
• Canonical SMILES: Brc1cnc(c(c1)C(F)(F)F)Br
• InChI: InChI=1S/C6H2Br2F3N/c7-3-1-4(6(9,10)11)5(8)12-2-3/h1-2H
• InChIKey: BPJRLWMELJRXLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-3-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2,5-dibromo-3-(trifluoromethyl)pyridine
• Synonyms: 2,5-Dibromo-3-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 79623-39-5
• MDL Number: MFCD13185530
• PubChem SID: 180673699
• PubChem CID: 70701171

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.376449
• LogD (pH = 7.4): 3.376449
• Log P: 3.376449
• Molar Refractivity: 45.9626 cm^3
• Polarizability: 17.259964 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%