6-Bromo-1H-indazole-3-carbaldehyde

C₈H₅BrN₂OCAS 885271-72-7225.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₅BrN₂O
Molar mass: 225.04 g/mol
Exact mass: 223.9585 Da
logP: 2.14Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

885271-72-7

SMILES

C1=CC2=C(NN=C2C=C1Br)C=O

InChIKey

RQQKGUPOPZJRLE-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)

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Work with 6-Bromo-1H-indazole-3-carbaldehyde

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

1H-Indazole-3-carbaldehyde5235-10-957 % similar 6-Bromo-3-methyl-1H-indazole7746-27-254 % similar 6-Bromoindole-3-carbaldehyde17826-04-944 % similar 5-Bromo-3-chloro-1H-indazole36760-19-744 % similar 5-Bromo-3-iodo (1H)indazole459133-66-543 % similar 5-Bromo-3-methyl-1H-indazole552331-16-543 % similar 3-Bromobenzaldehyde3132-99-841 % similar 5-Bromoindole-3-carboxaldehyde877-03-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-1 7-Bromo-1H-quinazolin-4-one194851-16-6 6-Bromoquinazolin-4-ol32084-59-6 6-Bromo-2(1H)-quinoxalinone55687-34-8 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-0 6-Bromophthalazin-1(2H)-one75884-70-7 6-Bromo-2(1H)-quinazolinone79885-37-3 7-Bromo-1H-quinoxalin-2-one82031-32-1

Elsewhere

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