5-Bromo-6-methyl-1H-indazole

C8H7BrN2CAS 885223-72-3211.06 g/mol

Open in Covalent MOL file
BrNNH
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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
885223-72-3
SMILES
CC1=CC2=C(C=C1Br)C=NN2
InChIKey
UTDBMGRTYFPTEC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,1H3,(H,10,11)

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Work with 5-Bromo-6-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-6-fluoro-1H-indazole105391-70-659 % similar 6-Bromo-5-fluoro-1H-indazole1286734-85-754 % similar 6-Bromo-5-methoxy-1H-indazole1206800-17-054 % similar 6-Bromoindazole79762-54-247 % similar 2,5-Dibromo-p-xylene1074-24-446 % similar 5-Methyl-6-nitro-1H-indazole72521-00-746 % similar 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-746 % similar 5-Methyl-1H-indazole1776-37-046 % 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-7-methyl-1H-indazole156454-43-2

Elsewhere

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