4-(3-bromopyridin-4-yl)morpholine

• ChemBase ID: 797321
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: C1COCCN1c1c(cncc1)Br
• Canonical SMILES: Brc1cnccc1N1CCOCC1
• InChI: InChI=1S/C9H11BrN2O/c10-8-7-11-2-1-9(8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: BAWWNTFBRLFENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-bromopyridin-4-yl)morpholine
• IUPAC Traditional name: 4-(3-bromopyridin-4-yl)morpholine
• Synonyms: 4-(3-BroMopyridin-4-yl)Morpholine

Database IDs

• CAS Number: 200064-39-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5149124
• LogD (pH = 7.4): 1.2637857
• Log P: 1.4138694
• Molar Refractivity: 55.027 cm^3
• Polarizability: 20.762817 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%