2-methoxy-5-(2-nitroethenyl)pyridine

• ChemBase ID: 238681
• Molecular Formular: C8H8N2O3
• Molecular Mass: 180.16072
• Monoisotopic Mass: 180.05349213
• SMILES: [N+](=O)(/C=C/c1cnc(cc1)OC)[O-]
• Canonical SMILES: COc1ccc(cn1)/C=C/[N+](=O)[O-]
• InChI: InChI=1S/C8H8N2O3/c1-13-8-3-2-7(6-9-8)4-5-10(11)12/h2-6H,1H3
• InChIKey: BGCZMKGDAYOJLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(2-nitroethenyl)pyridine
• IUPAC Traditional name: 2-methoxy-5-(2-nitroethenyl)pyridine
• Synonyms: 2-methoxy-5-(2-nitroethenyl)pyridine

Database IDs

• MDL Number: MFCD18205236
• PubChem SID: 164294591
• PubChem CID: 59486681

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3460381
• LogD (pH = 7.4): 1.3464565
• Log P: 1.3464619
• Molar Refractivity: 46.6681 cm^3
• Polarizability: 17.416077 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.542

Product Information

• Purity: 95%