4-(2-chloropyridine-3-carbonyl)morpholine

• ChemBase ID: 48533
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: C(=O)(c1c(nccc1)Cl)N1CCOCC1
• Canonical SMILES: O=C(c1cccnc1Cl)N1CCOCC1
• InChI: InChI=1S/C10H11ClN2O2/c11-9-8(2-1-3-12-9)10(14)13-4-6-15-7-5-13/h1-3H,4-7H2
• InChIKey: SPSWDQBZCCVHNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloropyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(2-chloropyridine-3-carbonyl)morpholine
• Synonyms: 4-[(2-Chloro-3-pyridyl)carbonyl]morpholine; 4-(2-Chloronicotinoyl)morpholine; (2-Chloro-3-pyridinyl)(4-morpholinyl)methanone; 2-氯-吡啶-3-酰基吗啉

Database IDs

• CAS Number: 53062-98-9
• MDL Number: MFCD00454210
• PubChem SID: 162053296
• PubChem CID: 2063428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.65928596
• LogD (pH = 7.4): 0.6592872
• Log P: 0.6592872
• Molar Refractivity: 57.7135 cm^3
• Polarizability: 21.618538 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%