6-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 64816
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c1(c(cn2c(c1)ncn2)Br)C
• Canonical SMILES: Cc1cc2ncnn2cc1Br
• InChI: InChI=1S/C7H6BrN3/c1-5-2-7-9-4-10-11(7)3-6(5)8/h2-4H,1H3
• InChIKey: UCQVGCGVFICPEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 6-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 6-Bromo-7-methyl[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 1172534-83-6
• MDL Number: MFCD12026325
• PubChem SID: 162030555
• PubChem CID: 44118314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4461906
• LogD (pH = 7.4): 2.4469712
• Log P: 2.4469812
• Molar Refractivity: 57.4157 cm^3
• Polarizability: 17.061028 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: 95%