chempirical

5-Bromo-2-(2H-tetrazol-5-yl)pyridine

C6H4BrN5CAS 380380-60-9226.04 g/mol

Open in Covalent MOL file
BrNNNHNN
Aryl halide

Properties

Molecular formula
C6H4BrN5
Molar mass
226.04 g/mol
Exact mass
224.9650 Da
logP
1.02Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
380380-60-9
SMILES
Brc1ccc(-c2nn[nH]n2)nc1
InChIKey
LBDJSOHAVRCQPD-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)

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Names and synonyms

5 names
  • Pyridine, 5-bromo-2-(2H-tetrazol-5-yl)-
  • Pyridine, 5-bromo-2-(1H-tetrazol-5-yl)-
  • 2-(5-Tetrazolyl)-5-bromopyridine
  • 5-Bromo-2-(tetrazol-5-yl)pyridine
  • 2-(1,2,3,4-Tetrazol-5-yl)-5-bromopyridine

Work with 5-Bromo-2-(2H-tetrazol-5-yl)pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(4-Bromophenyl)-2H-tetrazole50907-23-858 % similar 5-(3-Bromophenyl)-2H-tetrazole3440-99-147 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-143 % similar 5-Phenyltetrazole18039-42-440 % similar 2,5-Dibromopyridine624-28-239 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-638 % similar 5-Bromo-2-hydroxypyridine13466-38-137 % similar 5-Bromo-2-iodopyridine223463-13-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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