3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C8H3BrClN3CAS 1262411-25-5256.49 g/mol

Open in Covalent MOL file
NNHNClBr
Aryl halideNitrile

Properties

Molecular formula
C8H3BrClN3
Molar mass
256.49 g/mol
Exact mass
254.9199 Da
logP
2.85Crippen estimate
Polar surface area
52.5 Ų
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.

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Identifiers

CAS number
1262411-25-5
SMILES
C1=C(C2=C(C(=CN=C2N1)C#N)Cl)Br
InChIKey
FNMJRCZFEYCQKB-UHFFFAOYSA-N
InChI
InChI=1S/C8H3BrClN3/c9-5-3-13-8-6(5)7(10)4(1-11)2-12-8/h2-3H,(H,12,13)

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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

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile920966-02-550 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-147 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-546 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine1000340-39-545 % similar 3,4-Dibromo-7-azaindole1000340-33-943 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine876343-82-740 % similar 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile305371-18-038 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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