5-Bromo-3-iodo (1H)indazole

C₇H₄BrIN₂CAS 459133-66-5322.93 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

459133-66-5

SMILES

C1=CC2=NNC(=C2C=C1Br)I

InChIKey

IBFAYUXCRDDBRD-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

5-Bromo-3-iodo-1H-indazole

Work with 5-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

5-Bromo-3-chloro-1H-indazole36760-19-761 % similar 5-Bromo-3-methyl-1H-indazole552331-16-559 % similar 3-Iodo-1H-indazole66607-27-053 % similar 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-353 % similar 6-Bromo-3-methyl-1H-indazole7746-27-246 % similar 6-Bromo-4-quinazolinamine21419-48-744 % similar 6-Bromo-1H-indazole-3-carbaldehyde885271-72-743 % similar 6-Bromo-4-methylquinoline41037-28-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-0 6-Bromo-4-iodo-1H-indazole885519-41-5 6-Bromo-3-iodo-1H-indazole885521-88-0

Elsewhere

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