2-chloro-4-methoxy-5-nitropyridine

• ChemBase ID: 90444
• Molecular Formular: C6H5ClN2O3
• Molecular Mass: 188.5685
• Monoisotopic Mass: 187.99886971
• SMILES: n1c(cc(c(c1)[N+](=O)[O-])OC)Cl
• Canonical SMILES: COc1cc(Cl)ncc1[N+](=O)[O-]
• InChI: InChI=1S/C6H5ClN2O3/c1-12-5-2-6(7)8-3-4(5)9(10)11/h2-3H,1H3
• InChIKey: IDLQBYAYVNBGGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methoxy-5-nitropyridine
• IUPAC Traditional name: 2-chloro-4-methoxy-5-nitropyridine
• Synonyms: 2-Chloro-4-methoxy-5-nitropyridine

Database IDs

• CAS Number: 607373-83-1
• MDL Number: MFCD09907961
• PubChem SID: 162077252
• PubChem CID: 44119673

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3621081
• LogD (pH = 7.4): 1.3621081
• Log P: 1.3621081
• Molar Refractivity: 43.5551 cm^3
• Polarizability: 15.952615 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant