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

• ChemBase ID: 292840
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: Cc1nn2c(cccc2Br)n1
• Canonical SMILES: Cc1nn2c(n1)cccc2Br
• InChI: InChI=1S/C7H6BrN3/c1-5-9-7-4-2-3-6(8)11(7)10-5/h2-4H,1H3
• InChIKey: GTSCYGGWLHXTEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1159813-10-1
• PubChem SID: 180678371
• PubChem CID: 70700965

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.2335696
• Log P: 2.2335765
• Molar Refractivity: 56.7809 cm^3
• Polarizability: 17.101885 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2330441

PROPERTIES

Product Information

• Purity: 95+%