3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine

C7H4BrClN2CAS 1000340-39-5231.48 g/mol

Open in Covalent MOL file
ClNHNBr
Aryl halide

Properties

Molecular formula
C7H4BrClN2
Molar mass
231.48 g/mol
Exact mass
229.9246 Da
logP
2.98Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
1000340-39-5
SMILES
Clc1ccnc2[nH]cc(Br)c12
InChIKey
QLGXTRWCWHBPDP-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClN2/c8-4-3-11-7-6(4)5(9)1-2-10-7/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-4-chloro-
  • 3-Bromo-4-chloro-7-azaindole
  • 3-Bromo-4-chloro-1H-pyrrolo(2,3-b)pyridine

Work with 3-Bromo-4-chloro-1H-pyrrolo[2,3-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

3,4-Dibromo-7-azaindole1000340-33-968 % similar 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-860 % similar 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine688782-02-760 % similar 4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine869335-73-960 % similar 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-955 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-553 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-148 % similar 3-Bromo-7-azaindole74420-15-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-4-chloro-1H-indazole1082041-90-4 5-Bromo-3-chloro-1H-indazole36760-19-7 5-Bromo-7-chloro-1H-indazole635712-44-6 5-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine876343-82-7 4-Bromo-6-chloro-1H-indazole885519-03-9 6-Chloro-3-bromo-imidazo[1,2-A]pyridine886371-28-4 4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine942920-50-5

Elsewhere

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