6-Bromo-3-iodo-1H-indazole

C7H4BrIN2CAS 885521-88-0322.93 g/mol

Open in Covalent MOL file
BrINNH
Aryl halide

Properties

Molecular formula
C7H4BrIN2
Molar mass
322.93 g/mol
Exact mass
321.8603 Da
logP
2.93Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
885521-88-0
SMILES
Brc1ccc2c(I)n[nH]c2c1
InChIKey
POXUFQBYDQCUFO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names
  • 1H-Indazole, 6-bromo-3-iodo-
  • 6-Bromo-3-iodoindazole

Work with 6-Bromo-3-iodo-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-Bromo-1H-indazol-3-amine404827-77-659 % similar 6-Bromo-1H-indazole-3-carbonitrile885278-24-056 % similar 6-Bromo-1H-indazole-3-carboxylic acid660823-36-950 % similar 2,7-Dibromo-9H-carbazole136630-39-248 % similar 6-Bromoindazole79762-54-247 % similar 5-Bromo-1H-indazol-3-amine61272-71-746 % similar 6-Bromo-3-methyl-1H-indazole7746-27-242 % similar 4-Amino-6-bromo (1H)indazole885518-50-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-iodo (1H)indazole459133-66-5 5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-0 6-Bromo-4-iodo-1H-indazole885519-41-5

Elsewhere

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