2-bromo-6-methoxy-3-nitropyridine

• ChemBase ID: 288854
• Molecular Formular: C6H5BrN2O3
• Molecular Mass: 233.0195
• Monoisotopic Mass: 231.94835403
• SMILES: O=[N+](c1ccc(OC)nc1Br)[O-]
• Canonical SMILES: COc1ccc(c(n1)Br)[N+](=O)[O-]
• InChI: InChI=1S/C6H5BrN2O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3
• InChIKey: GYUZCAKTIFPHRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methoxy-3-nitropyridine
• IUPAC Traditional name: 2-bromo-6-methoxy-3-nitropyridine
• Synonyms: 2-Bromo-6-methoxy-3-nitropyridine

Database IDs

• CAS Number: 344296-05-5
• PubChem SID: 180674385
• PubChem CID: 13040384

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1066184
• LogD (pH = 7.4): 2.1066184
• Log P: 2.1066184
• Molar Refractivity: 45.4633 cm^3
• Polarizability: 17.04572 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%