2-bromo-5-methyl-4-nitropyridine

• ChemBase ID: 288866
• Molecular Formular: C6H5BrN2O2
• Molecular Mass: 217.0201
• Monoisotopic Mass: 215.95343941
• SMILES: O=[N+](c1cc(Br)ncc1C)[O-]
• Canonical SMILES: Brc1ncc(c(c1)[N+](=O)[O-])C
• InChI: InChI=1S/C6H5BrN2O2/c1-4-3-8-6(7)2-5(4)9(10)11/h2-3H,1H3
• InChIKey: AHLJFEVQBNWRRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-methyl-4-nitropyridine
• IUPAC Traditional name: 2-bromo-5-methyl-4-nitropyridine
• Synonyms: 2-Bromo-5-methyl-4-nitropyridine

Database IDs

• CAS Number: 66092-62-4
• MDL Number: MFCD11100652
• PubChem SID: 180674397
• PubChem CID: 13419589

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1832535
• LogD (pH = 7.4): 2.1832535
• Log P: 2.1832535
• Molar Refractivity: 43.7278 cm^3
• Polarizability: 16.188675 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%