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

• ChemBase ID: 813978
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: C1COCCN1c1ncc(cc1)C#C
• Canonical SMILES: C#Cc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C11H12N2O/c1-2-10-3-4-11(12-9-10)13-5-7-14-8-6-13/h1,3-4,9H,5-8H2
• InChIKey: IVVJUPPDIYSSEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-ethynylpyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-ethynylpyridin-2-yl)morpholine
• Synonyms: 4-(5-ethynylpyridin-2-yl)morpholine

Database IDs

• CAS Number: 454685-29-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2008351
• LogD (pH = 7.4): 1.387373
• Log P: 1.3904096
• Molar Refractivity: 52.89 cm^3
• Polarizability: 20.472357 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%