pentabromopyridine

• ChemBase ID: 80335
• Molecular Formular: C5Br5N
• Molecular Mass: 473.5802
• Monoisotopic Mass: 468.59475901
• SMILES: n1c(c(c(c(c1Br)Br)Br)Br)Br
• Canonical SMILES: Brc1nc(Br)c(c(c1Br)Br)Br
• InChI: InChI=1S/C5Br5N/c6-1-2(7)4(9)11-5(10)3(1)8
• InChIKey: ZWZXZEDDXXGEPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentabromopyridine
• IUPAC Traditional name: pentabromopyridine
• Synonyms: 2,3,4,5,6-pentabromopyridine

Database IDs

• MDL Number: MFCD00233984
• PubChem SID: 162067455
• PubChem CID: 1627808

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0103807
• LogD (pH = 7.4): 5.0103807
• Log P: 5.0103807
• Molar Refractivity: 63.6995 cm^3
• Polarizability: 25.325138 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false