{2-[(5-bromopyridin-2-yl)oxy]ethyl}dimethylamine

• ChemBase ID: 276015
• Molecular Formular: C9H13BrN2O
• Molecular Mass: 245.11632
• Monoisotopic Mass: 244.02112505
• SMILES: n1c(ccc(c1)Br)OCCN(C)C
• Canonical SMILES: CN(CCOc1ccc(cn1)Br)C
• InChI: InChI=1S/C9H13BrN2O/c1-12(2)5-6-13-9-4-3-8(10)7-11-9/h3-4,7H,5-6H2,1-2H3
• InChIKey: AWVBNWCYEVICAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(5-bromopyridin-2-yl)oxy]ethyl}dimethylamine
• IUPAC Traditional name: {2-[(5-bromopyridin-2-yl)oxy]ethyl}dimethylamine
• Synonyms: {2-[(5-bromopyridin-2-yl)oxy]ethyl}dimethylamine

Database IDs

• MDL Number: MFCD13190752
• PubChem SID: 164331925
• PubChem CID: 23299638

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.99257684
• LogD (pH = 7.4): 0.73272026
• Log P: 1.9797568
• Molar Refractivity: 56.3197 cm^3
• Polarizability: 21.8049 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.468

Product Information

• Purity: 95%