6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbaldehyde

• ChemBase ID: 41490
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: N1(c2ncc(C=O)cc2)CC(OC(C1)C)C
• Canonical SMILES: O=Cc1ccc(nc1)N1CC(C)OC(C1)C
• InChI: InChI=1S/C12H16N2O2/c1-9-6-14(7-10(2)16-9)12-4-3-11(8-15)5-13-12/h3-5,8-10H,6-7H2,1-2H3
• InChIKey: QJKIFMOLBXODKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbaldehyde
• Synonyms: 6-(2,6-Dimethylmorpholino)nicotinaldehyde

Database IDs

• MDL Number: MFCD04973726
• PubChem SID: 162046253
• PubChem CID: 2763982

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6441201
• LogD (pH = 7.4): 1.783106
• Log P: 1.7852267
• Molar Refractivity: 63.1393 cm^3
• Polarizability: 23.48285 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%