4-(5-chloropyridin-3-yl)morpholine

• ChemBase ID: 796469
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: C1COCCN1c1cncc(c1)Cl
• Canonical SMILES: Clc1cncc(c1)N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O/c10-8-5-9(7-11-6-8)12-1-3-13-4-2-12/h5-7H,1-4H2
• InChIKey: OHLYHZIENPFJDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-chloropyridin-3-yl)morpholine
• IUPAC Traditional name: 4-(5-chloropyridin-3-yl)morpholine
• Synonyms: 4-(5-Chloropyridin-3-yl)Morpholine

Database IDs

• CAS Number: 330682-25-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2428149
• LogD (pH = 7.4): 1.2490809
• Log P: 1.2491615
• Molar Refractivity: 52.209 cm^3
• Polarizability: 19.810846 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%