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

• ChemBase ID: 92562
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: O1CCN(c2nc(ccc2)C=O)CC1
• Canonical SMILES: O=Cc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C10H12N2O2/c13-8-9-2-1-3-10(11-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2
• InChIKey: PWJWHXJUKOZOGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-2-carbaldehyde
• Synonyms: 6-morpholinopyridine-2-carbaldehyde; 4-(6-Formylpyridin-2-yl)morpholine; 6-(Morpholin-4-yl)pyridine-2-carboxaldehyde 97%

Database IDs

• CAS Number: 857283-88-6
• MDL Number: MFCD08271893
• PubChem SID: 162079260
• PubChem CID: 18525735

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5443605
• LogD (pH = 7.4): 1.6254785
• Log P: 1.6266198
• Molar Refractivity: 53.9165 cm^3
• Polarizability: 19.816103 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-95°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Air Sensitive/Store under Argon

Product Information

• Purity: 97%