chempirical

6-Bromo-[1,2,4]triazolo[4,3-a]pyridine

C6H4BrN3CAS 108281-79-4198.02 g/mol

Open in Covalent MOL file
NNNBr
Aryl halide

Properties

Molecular formula
C6H4BrN3
Molar mass
198.02 g/mol
Exact mass
196.9589 Da
logP
1.49Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
108281-79-4
SMILES
C1=CC2=NN=CN2C=C1Br
InChIKey
PFKZKSHKBBUZKU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H

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Names and synonyms

1 names
  • 6-Bromo-1,2,4-triazolo[4,3-1]pyridine

Work with 6-Bromo-[1,2,4]triazolo[4,3-a]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

6-Bromoimidazo[1,2-A]pyridine-2-carboxylic acid ethyl ester67625-37-035 % similar Tris(4-bromophenyl)amine4316-58-934 % similar 6-Bromopyrazolo[1,5-A]pyridine1264193-11-434 % similar 5-Bromo-2-iodopyridine223463-13-633 % similar 6-Bromoimidazo[1,2-A]pyrimidine865156-68-933 % similar 1,4-Dibromobenzene106-37-632 % similar 2,5-Dibromopyridine624-28-231 % similar 5-Bromo-2-methoxypyridine13472-85-031 % similar

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

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-1H-pyrazolo[4,3-B]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-[1,2,4]triazolo[1,5-A]pyridine143329-58-2 3-Bromoimidazo[1,2-B]pyridazine18087-73-5 6-Bromo-3H-imidazo[4,5-B]pyridine28279-49-4

Elsewhere

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