chempirical

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

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-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-Bromoisoquinoline1532-97-441 % similar 6-Bromo-5-methyl (1H)indazole1000343-69-039 % similar 5-Bromo-6-fluoro-1H-indazole105391-70-639 % 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 3-Bromoimidazo[1,2-B]pyridazine18087-73-5 6-Bromo-3H-imidazo[4,5-B]pyridine28279-49-4

Elsewhere

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