5-Bromo-7-methyl-1H-indazole

C₈H₇BrN₂CAS 156454-43-2211.06 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers

Aggregated from 45 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

156454-43-2

SMILES

CC1=CC(=CC2=C1NN=C2)Br

InChIKey

OUNQFZFHLJLFAR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrN2/c1-5-2-7(9)3-6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Bromo-7-methyl-1H-indazole

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-7-chloro-1H-indazole635712-44-659 % similar 5-Bromo-6-methyl-1H-indazole885223-72-346 % similar 5-Bromo-1H-indazole53857-57-146 % similar 6-Bromoindazole79762-54-243 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-541 % similar 5-Bromo-2,3-dimethylpyridine27063-90-740 % similar 2,5-Dibromo-3-methylpyridine3430-18-040 % similar 6-Bromophthalazin-1(2H)-one75884-70-740 % 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 5-Bromo-3-methyl-7-azaindole1111637-94-5 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-2-methyl-2H-indazole465529-56-0

Elsewhere

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