6-(morpholin-4-yl)pyridine-3-carbaldehyde

• ChemBase ID: 41492
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: c1(N2CCOCC2)ncc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H12N2O2/c13-8-9-1-2-10(11-7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2
• InChIKey: VZEANTSDLFVWCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-3-carbaldehyde
• Synonyms: 6-(4-Morpholinyl)-3-pyridinecarboxaldehyde; 6-Morpholinylpyridine-3-carboxaldehyde; 6-(Morpholin-4-yl)pyridine-3-carboxaldehyde; 6-(Morpholin-4-yl)nicotinaldehyde; 6-Morpholinonicotinaldehyde

Database IDs

• CAS Number: 173282-60-5
• MDL Number: MFCD03659703
• PubChem SID: 162046255
• PubChem CID: 2776463

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8094173
• LogD (pH = 7.4): 0.9499283
• Log P: 0.9520767
• Molar Refractivity: 54.3017 cm^3
• Polarizability: 19.810684 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88 °C; 86-88°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Nitrogen
• TSCA Listed: false

Product Information

• Purity: >95%; 97%; 98%

DETAILS

Toronto Research Chemicals - M723755

Used in the preparation of substituted benzamide derivatives and analogs for use as hematopoietic growth factor receptor activators.

REFERENCES

• Heerding, D., et al.: Bioorg. Med. Chem. Lett., 10, 531 (2000)
• Sellarajah, S., et al.: J. Med. Chem., 47, 5515 (2000)