6-(morpholin-4-yl)pyridine-3-carbonyl chloride

• ChemBase ID: 80666
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: n1c(ccc(c1)C(=O)Cl)N1CCOCC1
• Canonical SMILES: ClC(=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H11ClN2O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2
• InChIKey: CUYODHVYKUWKCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-3-carbonyl chloride
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-3-carbonyl chloride
• Synonyms: 6-(Morpholin-4-yl)pyridine-3-carbonyl chloride; 3-(Chlorocarbonyl)-6-(morpholin-4-yl)pyridine; 4-[5-(Chlorocarbonyl)pyridin-2-yl]morpholine; 6-(Morpholin-4-yl)nicotinoyl chloride

Database IDs

• CAS Number: 313350-36-6
• MDL Number: MFCD02681966
• PubChem SID: 162067786
• PubChem CID: 2776461

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.371792
• LogD (pH = 7.4): 1.4296926
• Log P: 1.4304869
• Molar Refractivity: 58.8324 cm^3
• Polarizability: 21.716587 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-124°C

Safety Information

• Storage Warning: Corrosive