5-Bromo-1H-indazole

C₇H₅BrN₂CAS 53857-57-1197.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.03 g/mol
Exact mass: 195.9636 Da
logP: 2.33Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed93.6% of notifiers
H318 Causes serious eye damage91.5% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

53857-57-1

SMILES

C1=CC2=C(C=C1Br)C=NN2

InChIKey

STVHMYNPQCLUNJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

5-Bromoindazole

Work with 5-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

6-Bromoindazole79762-54-274 % similar 1H-Indazol-5-ol15579-15-460 % similar 6-Bromophthalazin-1(2H)-one75884-70-756 % similar 5-Methyl-1H-indazole1776-37-055 % similar 1H-Indazol-5-amine19335-11-655 % similar 5-Fluoro-1H-indazole348-26-555 % similar 5-Iodo-1H-indazole55919-82-955 % similar 5-Chloro-1H-indazole698-26-055 % 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