4-(6-chloropyridine-3-carbonyl)morpholine

• ChemBase ID: 33504
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: C(=O)(c1cnc(cc1)Cl)N1CCOCC1
• Canonical SMILES: Clc1ccc(cn1)C(=O)N1CCOCC1
• InChI: InChI=1S/C10H11ClN2O2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
• InChIKey: FCXXBTYIFBFZML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-chloropyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(6-chloropyridine-3-carbonyl)morpholine
• Synonyms: 4-[(6-Chloro-3-pyridinyl)carbonyl]morpholine; (6-Chloropyridin-3-yl)(morpholino)methanone; 4-[(6-chloro-3-pyridinyl)carbonyl]morpholine; 4-[(6-Chloropyridin-3-yl)carbonyl]morpholine

Database IDs

• CAS Number: 64614-49-9
• MDL Number: MFCD03750290
• PubChem SID: 160996811
• PubChem CID: 857499

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6592866
• LogD (pH = 7.4): 0.6592872
• Log P: 0.6592872
• Molar Refractivity: 57.7135 cm^3
• Polarizability: 21.605652 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.732

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C10H11ClN2O2

DETAILS

Sigma Aldrich - CBR00221

Other Notes
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Legal Information
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