2-bromo-6-(methoxymethyl)pyridine

• ChemBase ID: 247515
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(Br)cccc1COC
• Canonical SMILES: COCc1cccc(n1)Br
• InChI: InChI=1S/C7H8BrNO/c1-10-5-6-3-2-4-7(8)9-6/h2-4H,5H2,1H3
• InChIKey: AVRFGDUMTXKMNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(methoxymethyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(methoxymethyl)pyridine
• Synonyms: 2-bromo-6-(methoxymethyl)pyridine

Database IDs

• MDL Number: MFCD20482703
• PubChem SID: 164303425
• PubChem CID: 10943540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6870948
• LogD (pH = 7.4): 1.6870966
• Log P: 1.6870966
• Molar Refractivity: 43.411 cm^3
• Polarizability: 16.711168 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.39

Product Information

• Purity: 95%