5-bromo-3-fluoro-2-methoxypyridine

• ChemBase ID: 54402
• Molecular Formular: C6H5BrFNO
• Molecular Mass: 206.0124032
• Monoisotopic Mass: 204.95385401
• SMILES: c1(c(cc(cn1)Br)F)OC
• Canonical SMILES: COc1ncc(cc1F)Br
• InChI: InChI=1S/C6H5BrFNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
• InChIKey: DEBFRAAJISQBIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-fluoro-2-methoxypyridine
• IUPAC Traditional name: 5-bromo-3-fluoro-2-methoxypyridine
• Synonyms: 5-Bromo-3-fluoro-2-methoxypyridine

Database IDs

• CAS Number: 124432-70-8
• MDL Number: MFCD04112553
• PubChem SID: 162059165
• PubChem CID: 14837011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1038141
• LogD (pH = 7.4): 2.1038141
• Log P: 2.1038141
• Molar Refractivity: 38.517 cm^3
• Polarizability: 14.7475815 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%