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

• ChemBase ID: 64815
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c1c(cn2c(c1C)ncn2)Br
• Canonical SMILES: Brc1cc(C)c2n(c1)ncn2
• InChI: InChI=1S/C7H6BrN3/c1-5-2-6(8)3-11-7(5)9-4-10-11/h2-4H,1H3
• InChIKey: OYGHORQLTGXZKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 6-bromo-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 6-Bromo-8-methyl[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 899429-04-0
• MDL Number: MFCD09038166
• PubChem SID: 162030554
• PubChem CID: 11572030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4456556
• LogD (pH = 7.4): 2.4469645
• Log P: 2.4469812
• Molar Refractivity: 57.4157 cm^3
• Polarizability: 17.060228 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%