6,8-dibromo-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 292256
• Molecular Formular: C6H3Br2N3
• Molecular Mass: 276.91612
• Monoisotopic Mass: 274.86937111
• SMILES: Brc1cn2ncnc2c(Br)c1
• Canonical SMILES: Brc1cc(Br)c2n(c1)ncn2
• InChI: InChI=1S/C6H3Br2N3/c7-4-1-5(8)6-9-3-10-11(6)2-4/h1-3H
• InChIKey: RLAPLZDVPSZKJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 6,8-dibromo-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 6,8-Dibromo-[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 1310680-10-4
• MDL Number: MFCD22124121
• PubChem SID: 180677787
• PubChem CID: 71463749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7021987
• LogD (pH = 7.4): 2.702311
• Log P: 2.7023125
• Molar Refractivity: 59.9973 cm^3
• Polarizability: 18.48173 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%