3-Bromo-1H-pyrazolo(4,3-b)pyridine

C6H4BrN3CAS 633328-33-3198.02 g/mol

Open in Covalent MOL file
NNHNBr
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

Warning
Irritant (GHS07)

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+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
633328-33-3
SMILES
C1=CC2=NNC(=C2N=C1)Br
InChIKey
SXDNKFXWUFUOBP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-6-5-4(9-10-6)2-1-3-8-5/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 3-Bromo-1H-pyrazolo[4,3-B]pyridine

Work with 3-Bromo-1H-pyrazolo(4,3-b)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

3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-052 % similar 1,5-Naphthyridine254-79-541 % similar 8-Bromoquinoline16567-18-339 % similar 1H-1,2,3-Triazolo(4,5-b)pyridine273-34-739 % similar 5-Bromoquinoline4964-71-038 % similar 1,10-Phenanthroline66-71-737 % similar 5,6-Dimethyl-1,10-phenanthroline3002-81-136 % similar 3-Bromo-2-fluoropyridine36178-05-936 % 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