4-bromo-3-chloropyridine

• ChemBase ID: 45016
• Molecular Formular: C5H3BrClN
• Molecular Mass: 192.44102
• Monoisotopic Mass: 190.91373878
• SMILES: c1cncc(c1Br)Cl
• Canonical SMILES: Clc1cnccc1Br
• InChI: InChI=1S/C5H3BrClN/c6-4-1-2-8-3-5(4)7/h1-3H
• InChIKey: CXXVUKYIBWZKHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 73583-41-2
• MDL Number: MFCD04112577
• PubChem SID: 162049779
• PubChem CID: 2762926

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.128146
• LogD (pH = 7.4): 2.128368
• Log P: 2.1283708
• Molar Refractivity: 36.3287 cm^3
• Polarizability: 14.303148 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%