4-(3-nitropyridin-2-yl)morpholine

• ChemBase ID: 42414
• Molecular Formular: C9H11N3O3
• Molecular Mass: 209.20194
• Monoisotopic Mass: 209.08004123
• SMILES: c1cnc(c(c1)[N+](=O)[O-])N1CCOCC1
• Canonical SMILES: [O-][N+](=O)c1cccnc1N1CCOCC1
• InChI: InChI=1S/C9H11N3O3/c13-12(14)8-2-1-3-10-9(8)11-4-6-15-7-5-11/h1-3H,4-7H2
• InChIKey: QMINJWUSSJFQBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-nitropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(3-nitropyridin-2-yl)morpholine
• Synonyms: 4-(3-Nitro-2-pyridinyl)morpholine

Database IDs

• CAS Number: 24255-27-4
• MDL Number: MFCD00452814
• PubChem SID: 162047177
• PubChem CID: 2795439

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1790566
• LogD (pH = 7.4): 1.1795522
• Log P: 1.1795585
• Molar Refractivity: 55.0424 cm^3
• Polarizability: 19.854685 Å^3
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 94 °C; 91-94°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%