4-(2-chloropyridin-3-yl)morpholine

• ChemBase ID: 797432
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: C1COCCN1c1c(nccc1)Cl
• Canonical SMILES: Clc1ncccc1N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O/c10-9-8(2-1-3-11-9)12-4-6-13-7-5-12/h1-3H,4-7H2
• InChIKey: XCAZVILXVGXDMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloropyridin-3-yl)morpholine
• IUPAC Traditional name: 4-(2-chloropyridin-3-yl)morpholine
• Synonyms: 4-(2-Chloropyridin-3-yl)Morpholine

Database IDs

• CAS Number: 54231-44-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4692835
• LogD (pH = 7.4): 1.4693379
• Log P: 1.4693387
• Molar Refractivity: 53.2703 cm^3
• Polarizability: 19.859488 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%