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

• ChemBase ID: 77937
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: N1(c2ncccc2Cl)CCOCC1
• Canonical SMILES: Clc1cccnc1N1CCOCC1
• InChI: InChI=1S/C9H11ClN2O/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12/h1-3H,4-7H2
• InChIKey: KCKQIVLNKGDTGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chloropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(3-chloropyridin-2-yl)morpholine
• Synonyms: 4-(3-chloro-2-pyridinyl)morpholine; 3-Chloro-2-morpholin-4-ylpyridine; 4-(3-Chloropyridin-2-yl)morpholine; 3-Chloro-2-Morpholinopyridine

Database IDs

• CAS Number: 54231-36-6
• MDL Number: MFCD00498941
• PubChem SID: 162042778
• PubChem CID: 2815854

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7842054
• LogD (pH = 7.4): 1.8428143
• Log P: 1.843619
• Molar Refractivity: 52.5225 cm^3
• Polarizability: 19.81376 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon

Product Information

• Purity: 97%