3-bromo-2-(2-methoxyethoxy)pyridine

• ChemBase ID: 272967
• Molecular Formular: C8H10BrNO2
• Molecular Mass: 232.0745
• Monoisotopic Mass: 230.98949057
• SMILES: c1(ncccc1Br)OCCOC
• Canonical SMILES: COCCOc1ncccc1Br
• InChI: InChI=1S/C8H10BrNO2/c1-11-5-6-12-8-7(9)3-2-4-10-8/h2-4H,5-6H2,1H3
• InChIKey: DKKROXWHYSDJAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-(2-methoxyethoxy)pyridine
• IUPAC Traditional name: 3-bromo-2-(2-methoxyethoxy)pyridine
• Synonyms: 3-bromo-2-(2-methoxyethoxy)pyridine

Database IDs

• MDL Number: MFCD14651777
• PubChem SID: 164328877
• PubChem CID: 22591048

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9141098
• LogD (pH = 7.4): 1.9141364
• Log P: 1.9141368
• Molar Refractivity: 49.3441 cm^3
• Polarizability: 19.242035 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.029

Product Information

• Purity: 95%