5-bromo-2-ethylpyridine

• ChemBase ID: 68760
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: c1(ccc(cn1)Br)CC
• Canonical SMILES: CCc1ccc(cn1)Br
• InChI: InChI=1S/C7H8BrN/c1-2-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
• InChIKey: JFTFIPSATYUJLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38749-90-5
• MDL Number: MFCD11226235
• PubChem SID: 162034490
• PubChem CID: 13979736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3449442
• LogD (pH = 7.4): 2.356088
• Log P: 2.356232
• Molar Refractivity: 40.7423 cm^3
• Polarizability: 15.828711 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+%; 98%