2-bromo-3-fluoropyridine

• ChemBase ID: 21404
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1cnc(c(c1)F)Br
• Canonical SMILES: Fc1cccnc1Br
• InChI: InChI=1S/C5H3BrFN/c6-5-4(7)2-1-3-8-5/h1-3H
• InChIKey: IFGLECYAEGYLSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 40273-45-8
• MDL Number: MFCD04114128
• PubChem SID: 160984711
• PubChem CID: 2762803

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8725498
• LogD (pH = 7.4): 1.87255
• Log P: 1.87255
• Molar Refractivity: 32.5825 cm^3
• Polarizability: 12.235442 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.764

Safety Information

• Storage Warning: IRRITANT; Toxic
• 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: H301-H311-H332-H315-H319-H335-H227
• GHS Precautionary statements: P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 97%; 98%