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

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 4-Bromo (1H)indazole186407-74-941 % similar Methyl 1H-indazole-3-carboxylate43120-28-139 % similar 3-Bromoindole1484-27-139 % 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-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook