3-bromo-2-fluoropyridine

• ChemBase ID: 24231
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1cnc(c(c1)Br)F
• Canonical SMILES: Brc1cccnc1F
• InChI: InChI=1S/C5H3BrFN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: KESUTBOSNOHAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-fluoropyridine
• IUPAC Traditional name: 3-bromo-2-fluoropyridine
• Synonyms: 3-Bromo-2-fluoropyridine; 3-Bromo-2-fluoropyridine; 3-溴-2-氟吡啶

Database IDs

• CAS Number: 36178-05-9
• MDL Number: MFCD04112496
• PubChem SID: 160987538
• PubChem CID: 2762778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0609586
• LogD (pH = 7.4): 2.0609586
• Log P: 2.0609586
• Molar Refractivity: 32.755 cm^3
• Polarizability: 12.19002 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; IRRITANT
• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H311-H302-H332-H315-H319-H335-H227
• GHS Precautionary statements: P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 97%; 98%