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

C8H7BrN2CAS 590417-94-0211.06 g/mol

Open in Covalent MOL file
NBrN
Aryl halide

Properties

Molecular formula
C8H7BrN2
Molar mass
211.06 g/mol
Exact mass
209.9793 Da
logP
2.34Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
590417-94-0
SMILES
CN1C2=C(C=CC(=C2)Br)C=N1
InChIKey
SVVSOIGNROPKMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3

Weigh it out

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

Work with 6-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

5-Bromo-1-methyl-1H-indazole465529-57-174 % similar 1-Methyl-1H-indazol-6-amine74728-65-759 % similar 1-Methyl-1H-indazole-6-boronic acid1150114-80-956 % similar 1-Methyl-1H-indazol-5-amine50593-24-346 % similar 5-Bromo-1-methyl-1H-benzo[D][1,2,3]triazole944718-31-446 % similar 1-Methyl-1H-indazole-5-boronic acid590418-08-944 % similar 6-Bromo-2-methyl-2H-indazole590417-95-142 % similar 2,6-Dibromonaphthalene13720-06-441 % 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