2-chloro-4-methoxy-3-nitropyridine

• ChemBase ID: 288142
• Molecular Formular: C6H5ClN2O3
• Molecular Mass: 188.5685
• Monoisotopic Mass: 187.99886971
• SMILES: O=[N+](c1c(OC)ccnc1Cl)[O-]
• Canonical SMILES: COc1ccnc(c1[N+](=O)[O-])Cl
• InChI: InChI=1S/C6H5ClN2O3/c1-12-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
• InChIKey: SVXPNTNLKOJPTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methoxy-3-nitropyridine
• IUPAC Traditional name: 2-chloro-4-methoxy-3-nitropyridine
• Synonyms: 2-Chloro-4-methoxy-3-nitropyridine

Database IDs

• CAS Number: 6980-09-2
• PubChem SID: 180673673
• PubChem CID: 3778232

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: 42.5509 cm^3
• Polarizability: 15.979791 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%