2-methoxy-4-nitropyridine

• ChemBase ID: 292567
• Molecular Formular: C6H6N2O3
• Molecular Mass: 154.12344
• Monoisotopic Mass: 154.03784206
• SMILES: COc1nccc(c1)[N+](=O)[O-]
• Canonical SMILES: COc1nccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C6H6N2O3/c1-11-6-4-5(8(9)10)2-3-7-6/h2-4H,1H3
• InChIKey: MBCQTLLPQFAGAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-nitropyridine
• IUPAC Traditional name: 2-methoxy-4-nitropyridine
• Synonyms: 2-Methoxy-4-nitropyridine

Database IDs

• CAS Number: 18614-54-5
• PubChem SID: 180678098
• PubChem CID: 54063107

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1323438
• LogD (pH = 7.4): 1.1323439
• Log P: 1.1323439
• Molar Refractivity: 36.9983 cm^3
• Polarizability: 13.920353 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%