2,6-dibromo-4-methyl-3-nitropyridine

• ChemBase ID: 292661
• Molecular Formular: C6H4Br2N2O2
• Molecular Mass: 295.91616
• Monoisotopic Mass: 293.86395138
• SMILES: Cc1c(c(Br)nc(Br)c1)[N+](=O)[O-]
• Canonical SMILES: Brc1cc(C)c(c(n1)Br)[N+](=O)[O-]
• InChI: InChI=1S/C6H4Br2N2O2/c1-3-2-4(7)9-6(8)5(3)10(11)12/h2H,1H3
• InChIKey: YJLZPFRSGJZXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-methyl-3-nitropyridine
• IUPAC Traditional name: 2,6-dibromo-4-methyl-3-nitropyridine
• Synonyms: 2,6-Dibromo-4-methyl-3-nitropyridine

Database IDs

• CAS Number: 593671-26-2
• PubChem SID: 180678192
• PubChem CID: 70701003

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1575282
• LogD (pH = 7.4): 3.1575282
• Log P: 3.1575282
• Molar Refractivity: 52.1928 cm^3
• Polarizability: 19.41374 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%