2,3,6-tribromopyridine

• ChemBase ID: 50668
• Molecular Formular: C5H2Br3N
• Molecular Mass: 315.78808
• Monoisotopic Mass: 312.77373507
• SMILES: c1(c(ccc(n1)Br)Br)Br
• Canonical SMILES: Brc1ccc(c(n1)Br)Br
• InChI: InChI=1S/C5H2Br3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: DEFQJQYLAIGWAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6-tribromopyridine
• IUPAC Traditional name: 2,3,6-tribromopyridine
• Synonyms: 2,3,6-Tribromopyridine

Database IDs

• MDL Number: MFCD00234000
• PubChem SID: 162055431
• PubChem CID: 20280762

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4728754
• LogD (pH = 7.4): 3.4728754
• Log P: 3.4728754
• Molar Refractivity: 48.4539 cm^3
• Polarizability: 18.756134 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: 98%