2-bromo-5-chloropyridine

• ChemBase ID: 13732
• Molecular Formular: C5H3BrClN
• Molecular Mass: 192.44102
• Monoisotopic Mass: 190.91373878
• SMILES: c1(cnc(cc1)Br)Cl
• Canonical SMILES: Brc1ccc(cn1)Cl
• InChI: InChI=1S/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H
• InChIKey: BZUUVQCSPHPUQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloropyridine
• IUPAC Traditional name: 2-bromo-5-chloropyridine
• Synonyms: 2-Bromo-5-chloropyridine

Database IDs

• CAS Number: 40473-01-6
• MDL Number: MFCD00234006
• PubChem SID: 160977039
• PubChem CID: 817098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.333892
• LogD (pH = 7.4): 2.3338926
• Log P: 2.3338928
• Molar Refractivity: 37.1709 cm^3
• Polarizability: 14.339597 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-69 deg C; 65-69°C
• Hydrophobicity(logP): 2.334

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 98%