5-bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine

• ChemBase ID: 310007
• Molecular Formular: C5H3BrN4
• Molecular Mass: 199.00812
• Monoisotopic Mass: 197.95410812
• SMILES: n12nnnc1cccc2Br
• Canonical SMILES: Brc1cccc2n1nnn2
• InChI: InChI=1S/C5H3BrN4/c6-4-2-1-3-5-7-8-9-10(4)5/h1-3H
• InChIKey: YWKAAQBDTXFNDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine
• IUPAC Traditional name: 5-bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine
• Synonyms: 5-bromotetrazolo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD22575218

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2720406
• LogD (pH = 7.4): 1.2720407
• Log P: 1.2720407
• Molar Refractivity: 51.5556 cm^3
• Polarizability: 14.623251 Å^3
• Polar Surface Area: 43.08 Å^2