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

C8H5BrN2OCAS 885271-72-7225.04 g/mol

Open in Covalent MOL file
NHNBrO
AldehydeAryl 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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-1,2-dihydroquinoxalin-2-one55687-34-8 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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