2-(morpholin-4-yl)pyridine-4-carbaldehyde

• ChemBase ID: 92945
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: n1c(cc(cc1)C=O)N1CCOCC1
• Canonical SMILES: O=Cc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C10H12N2O2/c13-8-9-1-2-11-10(7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2
• InChIKey: VMFCHBZYIHUMQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyridine-4-carbaldehyde
• IUPAC Traditional name: 2-(morpholin-4-yl)pyridine-4-carbaldehyde
• Synonyms: 2-morpholinoisonicotinaldehyde; 2-(Morpholin-4-yl)pyridine-4-carboxaldehyde; 2-(Morpholin-4-yl)isonicotinaldehyde 97%

Database IDs

• CAS Number: 864068-87-1
• MDL Number: MFCD08060524
• PubChem SID: 162079643
• PubChem CID: 7537563

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.91619426
• LogD (pH = 7.4): 0.95160466
• Log P: 0.9520767
• Molar Refractivity: 54.3017 cm^3
• Polarizability: 19.811537 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-67°C

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 97%