6-bromo-2-methoxy-3-nitropyridine

• ChemBase ID: 815990
• Molecular Formular: C6H5BrN2O3
• Molecular Mass: 233.0195
• Monoisotopic Mass: 231.94835403
• SMILES: n1c(c(ccc1Br)[N+](=O)[O-])OC
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1OC)Br
• InChI: InChI=1S/C6H5BrN2O3/c1-12-6-4(9(10)11)2-3-5(7)8-6/h2-3H,1H3
• InChIKey: OMOZIEOLBBCAFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methoxy-3-nitropyridine
• IUPAC Traditional name: 6-bromo-2-methoxy-3-nitropyridine
• Synonyms: 6-BROMO-2-METHOXY-3-NITRO-PYRIDINE

Database IDs

• CAS Number: 58819-77-5

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: 17.041946 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%