3-bromo-4-fluoropyridine

• ChemBase ID: 68532
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1c(c(ccn1)F)Br
• Canonical SMILES: Fc1ccncc1Br
• InChI: InChI=1S/C5H3BrFN/c6-4-3-8-2-1-5(4)7/h1-3H
• InChIKey: PKYADCLPLQPPKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-fluoropyridine
• IUPAC Traditional name: 3-bromo-4-fluoropyridine
• Synonyms: 3-Bromo-4-fluoropyridine

Database IDs

• CAS Number: 116922-60-2
• MDL Number: MFCD04114101
• PubChem SID: 162034263
• PubChem CID: 2762779

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6652292
• LogD (pH = 7.4): 1.6670053
• Log P: 1.667028
• Molar Refractivity: 31.7403 cm^3
• Polarizability: 12.188462 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%; 98%