4-(6-bromopyridin-2-yl)morpholine

• ChemBase ID: 69709
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: c1(cccc(n1)N1CCOCC1)Br
• Canonical SMILES: Brc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12/h1-3H,4-7H2
• InChIKey: RCGFRLCJCFDVOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-bromopyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(6-bromopyridin-2-yl)morpholine
• Synonyms: 4-(6-bromopyrid-2-yl)morpholine; 4-(6-BROMOPYRIDIN-2-YL)MORPHOLINE; 2-Bromo-6-morpholinopyridine

Database IDs

• CAS Number: 332134-60-8
• MDL Number: MFCD07772824
• PubChem SID: 162035434
• PubChem CID: 7164599

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2130222
• LogD (pH = 7.4): 2.2138386
• Log P: 2.213849
• Molar Refractivity: 56.1827 cm^3
• Polarizability: 20.811373 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%