5-bromo-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 64445
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: n12c(ncn2)cccc1Br
• Canonical SMILES: Brc1cccc2n1ncn2
• InChI: InChI=1S/C6H4BrN3/c7-5-2-1-3-6-8-4-9-10(5)6/h1-4H
• InChIKey: FTRKHVUBTUHSQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 5-bromo-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 5-Bromo[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 143329-58-2
• MDL Number: MFCD10699201
• PubChem SID: 162030184
• PubChem CID: 10352689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6333361
• LogD (pH = 7.4): 1.6339079
• Log P: 1.6339152
• Molar Refractivity: 52.1565 cm^3
• Polarizability: 15.373338 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%