chempirical

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

C8H7BrN2CAS 1000576-59-9211.06 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

Identifiers

CAS number
1000576-59-9
SMILES
CN1C2=C(C=CC=C2Br)C=N1
InChIKey
JPFIGGYULRKROG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3

Weigh it out

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

Work with 7-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

B-(1-Methyl-1H-indazol-7-yl)boronic acid1001907-59-056 % similar 4-Bromo-1-methyl-1H-pyrazol-5-amine105675-85-244 % similar 1-Methyl-1H-indazol-6-amine74728-65-739 % similar 1-Methyl-1H-indazole-6-boronic acid1150114-80-938 % similar 1-Methyl-5-nitroindazole5228-49-937 % similar B-(1-Methyl-1H-indazol-4-yl)boronic acid1001907-60-337 % similar 1-Bromonaphthalene90-11-934 % similar 8-Bromoquinoline16567-18-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Bromo-5-methyl (1H)indazole1000343-69-0 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 5-Bromo-1-methyl-1H-indazole465529-57-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook