4-(6-chloropyridin-2-yl)morpholine

• ChemBase ID: 48677
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: n1c(N2CCOCC2)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12/h1-3H,4-7H2
• InChIKey: RCTMSAAXJZTYHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-chloropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(6-chloropyridin-2-yl)morpholine
• Synonyms: 4-(6-Chloro-2-pyridinyl)morpholine

Database IDs

• MDL Number: MFCD11848425
• PubChem SID: 162053440
• PubChem CID: 15534824

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0633926
• LogD (pH = 7.4): 2.063791
• Log P: 2.0637963
• Molar Refractivity: 53.5838 cm^3
• Polarizability: 19.856298 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false