4,7-Dibromo[1,2,5]thiadiazolo[3,4-c]pyridine

C5HBr2N3SCAS 333432-27-2294.95 g/mol

Open in Covalent MOL file
NSNNBrBr
Aryl halide

Properties

Molecular formula
C5HBr2N3S
Molar mass
294.95 g/mol
Exact mass
292.8258 Da
logP
2.61Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
333432-27-2
SMILES
C1=C(C2=NSN=C2C(=N1)Br)Br
InChIKey
LEHZIBSAFRVAJP-UHFFFAOYSA-N
InChI
InChI=1S/C5HBr2N3S/c6-2-1-8-5(7)4-3(2)9-11-10-4/h1H

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Names and synonyms

1 names
  • [1,2,5]Thiadiazolo[3,4-C]pyridine, 4,7-dibromo-

Work with 4,7-Dibromo[1,2,5]thiadiazolo[3,4-c]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

4,7-Dibromo-2,1,3-benzothiadiazole15155-41-654 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-541 % similar 4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole1347736-74-640 % similar 7-Bromo-benzo[C][1,2,5]thiadiazole-4-carbaldehyde1071224-34-439 % similar 2,3,5-Tribromopyridine75806-85-839 % similar 2,3-Dibromo-5-chloropyridine137628-17-236 % similar 2,3-Dibromo-5-methylpyridine29232-39-136 % similar 2,3-Dibromo-5-fluoropyridine878207-82-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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