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

• ChemBase ID: 290588
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: Brc1cc(N2CCOCC2)ncc1
• Canonical SMILES: Brc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C9H11BrN2O/c10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: RHEDZKKCXNVSPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromopyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(4-bromopyridin-2-yl)morpholine
• Synonyms: 4-(4-Bromopyridin-2-yl)morpholine

Database IDs

• CAS Number: 1040377-12-5
• PubChem SID: 180676119
• PubChem CID: 51063918

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8165407
• LogD (pH = 7.4): 2.0052457
• Log P: 2.008327
• Molar Refractivity: 55.3405 cm^3
• Polarizability: 20.758272 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%