4-Bromo-1H-pyrazolo[3,4-C]pyridine

C6H4BrN3CAS 1032943-43-3198.02 g/mol

Open in Covalent MOL file
NBrNNH
Aryl halide

Properties

Molecular formula
C6H4BrN3
Molar mass
198.02 g/mol
Exact mass
196.9589 Da
logP
1.72Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
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

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
1032943-43-3
SMILES
C1=C2C(=C(C=N1)Br)C=NN2
InChIKey
KFGSMEJCZZYNNG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-5-2-8-3-6-4(5)1-9-10-6/h1-3H,(H,9,10)

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Work with 4-Bromo-1H-pyrazolo[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-Bromo (1H)indazole186407-74-959 % similar 4-Bromo-1H-pyrrolo(2,3-c)pyridine69872-17-952 % similar 4-Bromo-6-chloro-1H-indazole885519-03-952 % similar 4-Bromo-6-fluoro-1H-indazole885520-35-452 % similar 5-Bromo-4-fluoro-1H-indazole1082041-85-747 % similar 5-Bromo-4-chloro-1H-indazole1082041-90-447 % similar 4-Bromo-1H-indazole-6-carboxylic acid885523-43-344 % similar 4-Bromo-1H-pyrazolo(3,4-b)pyridine856859-49-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Bromoimidazo(1,2-b)pyridazine18087-73-5

Elsewhere

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