4-(5-bromopyridin-2-yl)morpholine

• ChemBase ID: 48648
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: c1(N2CCOCC2)ncc(cc1)Br
• Canonical SMILES: Brc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H11BrN2O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: NKJIYYDCYKUWNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromopyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromopyridin-2-yl)morpholine
• Synonyms: 5-Bromo-2-(morpholin-4-yl)pyridine; 4-(5-Bromopyridin-2-yl)morpholine; 4-(5-Bromo-2-pyridinyl)morpholine

Database IDs

• CAS Number: 200064-11-5
• MDL Number: MFCD02681930
• PubChem SID: 162053411
• PubChem CID: 10966724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9573878
• LogD (pH = 7.4): 2.0076442
• Log P: 2.008327
• Molar Refractivity: 55.3405 cm^3
• Polarizability: 20.762327 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81-83°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 98%