6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine

• ChemBase ID: 290163
• Molecular Formular: C8H8BrN3
• Molecular Mass: 226.07322
• Monoisotopic Mass: 224.99015927
• SMILES: CCc1nnc2ccc(Br)cn12
• Canonical SMILES: CCc1nnc2n1cc(Br)cc2
• InChI: InChI=1S/C8H8BrN3/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h3-5H,2H2,1H3
• InChIKey: FFECVJVIICFPED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
• IUPAC Traditional name: 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
• Synonyms: 6-Bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine

Database IDs

• CAS Number: 1253789-47-7
• PubChem SID: 180675694
• PubChem CID: 66570419

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3901918
• LogD (pH = 7.4): 1.3914351
• Log P: 1.391451
• Molar Refractivity: 52.843 cm^3
• Polarizability: 18.873533 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%