2-bromo-4-methoxypyridine

• ChemBase ID: 180007
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: c1(cc(ccn1)OC)Br
• Canonical SMILES: COc1ccnc(c1)Br
• InChI: InChI=1S/C6H6BrNO/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
• InChIKey: AWBDARKONATUHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-methoxypyridine
• IUPAC Traditional name: 2-bromo-4-methoxypyridine
• Synonyms: 2-Bromo-4-methoxypyridine

Database IDs

• CAS Number: 118289-16-0; 89488-29-9
• PubChem SID: 164235917
• PubChem CID: 4738484

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5711552
• LogD (pH = 7.4): 1.5721639
• Log P: 1.5721768
• Molar Refractivity: 38.8293 cm^3
• Polarizability: 14.897314 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%; 99%