2,6-dimethyl-4-(5-nitropyridin-2-yl)morpholine

• ChemBase ID: 258242
• Molecular Formular: C11H15N3O3
• Molecular Mass: 237.2551
• Monoisotopic Mass: 237.11134136
• SMILES: [N+](=O)(c1cnc(N2CC(OC(C2)C)C)cc1)[O-]
• Canonical SMILES: CC1OC(C)CN(C1)c1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3
• InChIKey: OEWWQMFPALMWEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(5-nitropyridin-2-yl)morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-(5-nitropyridin-2-yl)morpholine
• Synonyms: 2,6-dimethyl-4-(5-nitropyridin-2-yl)morpholine

Database IDs

• MDL Number: MFCD00118337
• PubChem SID: 164314152
• PubChem CID: 2803164

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0125306
• LogD (pH = 7.4): 2.0127063
• Log P: 2.0127087
• Molar Refractivity: 63.88 cm^3
• Polarizability: 23.503027 Å^3
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 1.977

Product Information

• Purity: 95%