4-(6-bromopyridin-3-yl)morpholine

• ChemBase ID: 288034
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: Brc1ccc(cn1)N1CCOCC1
• Canonical SMILES: Brc1ccc(cn1)N1CCOCC1
• InChI: InChI=1S/C9H11BrN2O/c10-9-2-1-8(7-11-9)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: KXPAVTLIMQDWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-bromopyridin-3-yl)morpholine
• IUPAC Traditional name: 4-(6-bromopyridin-3-yl)morpholine
• Synonyms: 4-(6-Bromopyridin-3-yl)morpholine

Database IDs

• CAS Number: 952582-08-0
• MDL Number: MFCD11869572
• PubChem SID: 180673565
• PubChem CID: 23092131

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.619278
• LogD (pH = 7.4): 1.61939
• Log P: 1.6193914
• Molar Refractivity: 55.8692 cm^3
• Polarizability: 20.811117 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%