3-bromo-5-ethylpyridine

• ChemBase ID: 70382
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: c1c(cc(cn1)CC)Br
• Canonical SMILES: CCc1cc(Br)cnc1
• InChI: InChI=1S/C7H8BrN/c1-2-6-3-7(8)5-9-4-6/h3-5H,2H2,1H3
• InChIKey: POFDPNRTCRTDMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-ethylpyridine
• IUPAC Traditional name: 3-bromo-5-ethylpyridine
• Synonyms: 3-Bromo-5-ethylpyridine

Database IDs

• CAS Number: 142337-95-9
• MDL Number: MFCD09800592
• PubChem SID: 162036102
• PubChem CID: 642804

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4730408
• LogD (pH = 7.4): 2.4821978
• Log P: 2.482316
• Molar Refractivity: 41.1661 cm^3
• Polarizability: 15.828466 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%