7-Bromo-1H-indazole

C₇H₅BrN₂CAS 53857-58-2197.03 g/mol

Open in Covalent MOL file

Aryl halide

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

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

53857-58-2

SMILES

Brc1cccc2c[nH]nc12

InChIKey

KMHHWCPTROQUFM-UHFFFAOYSA-N

InChI

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

Work with 7-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

1H-Indazol-7-amine21443-96-957 % similar 7-Nitroindazole2942-42-947 % similar 8-Bromoquinoline16567-18-347 % similar 8-Bromo-2-chloroquinoline163485-86-742 % similar 8-Bromo-2-methyl-quinoline61047-43-641 % similar 8-Bromo-2-chloroquinazoline956100-63-341 % similar 1,8-Dibromonaphtalene17135-74-941 % similar 7-Bromo-3-methyl-1H-indazole1159511-75-740 % 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

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