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

• ChemBase ID: 33508
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: C(=O)(N1CCOCC1)c1cc(ncc1)Cl
• Canonical SMILES: Clc1nccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C10H11ClN2O2/c11-9-7-8(1-2-12-9)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
• InChIKey: CFQBEUQXLUMNQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloropyridine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(2-chloropyridine-4-carbonyl)morpholine
• Synonyms: 4-(2-Chloroisonicotinoyl)morpholine

Database IDs

• CAS Number: 174482-98-5
• MDL Number: MFCD09864579
• PubChem SID: 160996815
• PubChem CID: 25219249

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.65928674
• LogD (pH = 7.4): 0.6592872
• Log P: 0.6592872
• Molar Refractivity: 57.7135 cm^3
• Polarizability: 21.603716 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false