2-bromo-5-chloro-3-fluoropyridine

• ChemBase ID: 64857
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: c1(cnc(c(c1)F)Br)Cl
• Canonical SMILES: Clc1cnc(c(c1)F)Br
• InChI: InChI=1S/C5H2BrClFN/c6-5-4(8)1-3(7)2-9-5/h1-2H
• InChIKey: PYDGFYYLQFJQBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloro-3-fluoropyridine
• IUPAC Traditional name: 2-bromo-5-chloro-3-fluoropyridine
• Synonyms: 2-Bromo-5-chloro-3-fluoropyridine

Database IDs

• CAS Number: 514797-97-8
• MDL Number: MFCD11044268
• PubChem SID: 162030596
• PubChem CID: 10965798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4765947
• LogD (pH = 7.4): 2.4765947
• Log P: 2.4765947
• Molar Refractivity: 37.3873 cm^3
• Polarizability: 14.264654 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-30°C
• Boiling Point: 77-78°C/7mm

Safety Information

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

Product Information

• Purity: 97%