6-Bromo-(1,2,4)triazolo(1,5-a)pyridine

C6H4BrN3CAS 356560-80-0198.02 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
356560-80-0
SMILES
C1=CC2=NC=NN2C=C1Br
InChIKey
CXRXKDSDRWLKTK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-5-1-2-6-8-4-9-10(6)3-5/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 6-Bromo-[1,2,4]triazolo[1,5-A]pyridine

Work with 6-Bromo-(1,2,4)triazolo(1,5-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-Iodo-[1,2,4]triazolo[1,5,A]pyridine614750-84-455 % similar 6-Bromo-pyrazolo[1,5-A]pyrimidine705263-10-155 % similar 6-Bromopyrazolo(1,5-a)pyridine1264193-11-447 % similar 6-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine947248-68-246 % similar 6-Bromoimidazo[1,2-A]pyridine6188-23-445 % similar 6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine916420-30-944 % similar 2,5-Dibromopyridine624-28-240 % similar 8-Bromo-[1,2,4]triazolo[1,5-A]pyridine868362-18-937 % 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-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 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 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook