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

• ChemBase ID: 286213
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: c1c(N2CCOCC2)ccnc1Br
• Canonical SMILES: Brc1nccc(c1)N1CCOCC1
• InChI: InChI=1S/C9H11BrN2O/c10-9-7-8(1-2-11-9)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: JCRVQCRLFOBEPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1049023-41-7
• MDL Number: MFCD11869654
• PubChem SID: 180671744
• PubChem CID: 45787972

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4928926
• LogD (pH = 7.4): 1.6175259
• Log P: 1.6193914
• Molar Refractivity: 55.8692 cm^3
• Polarizability: 20.807333 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.598

Product Information

• Purity: 95%; 98%