5-Bromo-3-methyl-7-azaindole

C8H7BrN2CAS 1111637-94-5211.06 g/mol

Open in Covalent MOL file
HNNBr
Aryl halide

Properties

Molecular formula
C8H7BrN2
Molar mass
211.06 g/mol
Exact mass
209.9793 Da
logP
2.63Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1111637-94-5
SMILES
CC1=CNC2=C1C=C(C=N2)Br
InChIKey
KFXLHKPTNMYOLR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-4H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 5-Bromo-3-methyl-1H-pyrrolo(2,3-b)pyridine

Work with 5-Bromo-3-methyl-7-azaindole

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

5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-064 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-751 % similar 3-Methyl-1H-pyrrolo[2,3-b]pyridine5654-93-349 % similar 5-Bromo-2,3-dimethylpyridine27063-90-748 % similar 2,5-Dibromo-3-methylpyridine3430-18-048 % similar 5-Bromo-2-chloro-3-methylpyridine29241-60-946 % similar 5-Bromo-2-fluoro-3-methylpyridine29312-98-946 % similar 5-Bromo-3-methyl-2(1H)-pyridinone89488-30-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-5-methyl (1H)indazole1000343-69-0 7-Bromo-1-methyl-1H-indazole1000576-59-9 5-Bromo-4-methyl-1H-indazole1082041-34-6 2-Methyl-5-bromo-7-azaindole1111638-02-8 7-Bromo-3-methyl-1H-indazole1159511-75-7 4-Bromo-1-methyl-1H-1,3-benzodiazole1353679-63-6 5-Bromo-7-methyl-1H-indazole156454-43-2 5-Bromo-2-methyl-2H-indazole465529-56-0

Elsewhere

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