3-bromo-5-fluoro-2-methoxypyridine

• ChemBase ID: 69101
• Molecular Formular: C6H5BrFNO
• Molecular Mass: 206.0124032
• Monoisotopic Mass: 204.95385401
• SMILES: c1(c(cc(cn1)F)Br)OC
• Canonical SMILES: COc1ncc(cc1Br)F
• InChI: InChI=1S/C6H5BrFNO/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,1H3
• InChIKey: HSWCOAGQYSBFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-fluoro-2-methoxypyridine
• IUPAC Traditional name: 3-bromo-5-fluoro-2-methoxypyridine
• Synonyms: 3-Bromo-5-fluoro-2-methoxypyridine; 3-Bromo-5-fluoropyridin-2-yl methyl ether

Database IDs

• CAS Number: 884494-81-9
• MDL Number: MFCD04972397
• PubChem SID: 162034830
• PubChem CID: 40427006

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: 14.754423 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%