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

C₈H₇BrN₂CAS 465529-57-1211.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇BrN₂
Molar mass: 211.06 g/mol
Exact mass: 209.9793 Da
Melting point: 111–112 °C
logP: 2.34Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

465529-57-1

SMILES

Cn1ncc2cc(Br)ccc21

InChIKey

RMCHMXPTUMFFBZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

1H-Indazole, 5-bromo-1-methyl-
1-Methyl-5-bromo-1H-indazole

Work with 5-Bromo-1-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

6-Bromo-1-methyl-1H-indazole590417-94-074 % similar 1-Methyl-1H-indazol-5-amine50593-24-359 % similar 1-Methyl-1H-indazole-5-boronic acid590418-08-956 % similar 1-Methyl-5-nitroindazole5228-49-950 % similar 5-Bromo-1-methyl-1H-benzo[D][1,2,3]triazole944718-31-450 % similar 5-Bromo-1-methyl-1H-indole10075-52-249 % similar 1-Methyl-1H-indazol-6-amine74728-65-746 % similar 1-Methyl-1H-indazole-6-boronic acid1150114-80-944 % 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

PubChem CAS Common Chemistry NIST WebBook