chempirical

3-Bromo-1H-indazole

C7H5BrN2CAS 40598-94-5197.04 g/mol

Open in Covalent MOL file
BrNNH
Aryl halide

Properties

Molecular formula
C7H5BrN2
Molar mass
197.04 g/mol
Exact mass
195.9636 Da
Melting point
141–142 °C
logP
2.33Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
40598-94-5
SMILES
Brc1n[nH]c2ccccc12
InChIKey
HTKXRTUKPXEALT-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

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Names and synonyms

2 names
  • 1H-Indazole, 3-bromo-
  • 3-Bromoindazole

Work with 3-Bromo-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

3-Bromo-1H-pyrazolo[4,3-C]pyridine633328-88-857 % similar 3-Chloroindazole29110-74-552 % similar Indazolinone7364-25-252 % similar 1H-Indazole-3-carbonitrile50264-88-550 % similar Indazole-3-carboxylic acid4498-67-343 % similar Carbazole86-74-838 % similar Ethyl 3-indazolecarboxylate4498-68-437 % similar 2-Bromocarbazole3652-90-235 % similar

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

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo[1,5-A]pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-1H-pyrrolo[2,3-B]pyridine183208-35-7

Elsewhere

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