4-(5-isocyanatopyridin-2-yl)morpholine

• ChemBase ID: 800614
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: C1COCCN1c1ncc(cc1)N=C=O
• Canonical SMILES: O=C=Nc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H11N3O2/c14-8-12-9-1-2-10(11-7-9)13-3-5-15-6-4-13/h1-2,7H,3-6H2
• InChIKey: SZBOMOGCSQTLTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-isocyanatopyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-isocyanatopyridin-2-yl)morpholine
• Synonyms: 4-(5-ISOCYANATOPYRIDIN-2-YL)MORPHOLINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1082503
• LogD (pH = 7.4): 1.1485889
• Log P: 1.14913
• Molar Refractivity: 56.7897 cm^3
• Polarizability: 20.254187 Å^3
• Polar Surface Area: 54.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%