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

• ChemBase ID: 292839
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: Cc1nn2ccc(Br)cc2n1
• Canonical SMILES: Brc1ccn2c(c1)nc(n2)C
• InChI: InChI=1S/C7H6BrN3/c1-5-9-7-4-6(8)2-3-11(7)10-5/h2-4H,1H3
• InChIKey: VHVKJEPMBOPRJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1159812-31-3
• PubChem SID: 180678370
• PubChem CID: 58239171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5650885
• LogD (pH = 7.4): 2.5655339
• Log P: 2.5655396
• Molar Refractivity: 56.9989 cm^3
• Polarizability: 17.055487 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%