chempirical

6-Bromo-3H-imidazo[4,5-b]pyridine

C6H4BrN3CAS 28279-49-4198.02 g/mol

Open in Covalent MOL file
BrNNHN
Aryl halide

Properties

Molecular formula
C6H4BrN3
Molar mass
198.02 g/mol
Exact mass
196.9589 Da
Melting point
227–228 °C
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 40 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28279-49-4
SMILES
Brc1cnc2[nH]cnc2c1
InChIKey
XPHWCAKVRKUXLK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H,(H,8,9,10)

Weigh it out

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

Names and synonyms

5 names
  • 3H-Imidazo[4,5-b]pyridine, 6-bromo-
  • 1H-Imidazo[4,5-b]pyridine, 6-bromo-
  • Imidazo[4,5-b]pyridine, 6-bromo-
  • 6-Bromo-4-azabenzimidazole
  • 6-Bromo-1H-imidazo[4,5-b]pyridine

Work with 6-Bromo-3H-imidazo[4,5-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

6-Bromo-1H-benzimidazole4887-88-147 % similar Purine120-73-047 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-545 % similar 7-Bromo-1H-quinazolin-4-one194851-16-644 % similar 5-Bromo-3-methyl-7-azaindole1111637-94-543 % similar 5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-043 % similar 5-Bromo-3H-imidazo[4,5-b]pyridine28279-52-942 % similar Imidazo[4,5-b]pyridine273-21-242 % 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

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