5-Bromo-4,7-diazaindole

C₆H₄BrN₃CAS 875781-43-4198.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄BrN₃
Molar mass: 198.02 g/mol
Exact mass: 196.9589 Da
logP: 1.72Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

875781-43-4

SMILES

C1=CNC2=NC=C(N=C21)Br

InChIKey

KTKMLXBEBKGQGL-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)

Weigh it out

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Names and synonyms

1 names

2-Bromo-5H-pyrrolo[2,3-b]pyrazine

Work with 5-Bromo-4,7-diazaindole

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

2-Chloro-5H-pyrrolo[2,3-B]pyrazine889447-19-255 % similar 5-Bromo-4-azaindole1000341-51-452 % similar 2-Bromoquinoxaline36856-91-450 % similar 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-747 % similar 2-Bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine875781-44-542 % similar 5-Bromo-3H-imidazo[4,5-b]pyridine28279-52-941 % similar 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-840 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-540 % 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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