6-Bromo-1H-indazole-3-carbonitrile

C₈H₄BrN₃CAS 885278-24-0222.04 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₄BrN₃
Molar mass: 222.04 g/mol
Exact mass: 220.9589 Da
logP: 2.20Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

885278-24-0

SMILES

N#Cc1n[nH]c2cc(Br)ccc12

InChIKey

BNMHCHQOAQMIBU-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)

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

Names and synonyms

1 names

1H-Indazole-3-carbonitrile, 6-bromo-

Work with 6-Bromo-1H-indazole-3-carbonitrile

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-amine404827-77-660 % similar 1H-Indazole-3-carbonitrile50264-88-558 % similar 6-Bromo-3-iodo-1H-indazole885521-88-056 % similar 6-Bromo-1H-indazole-3-carboxylic acid660823-36-948 % similar 5-Bromo-1H-indazol-3-amine61272-71-747 % similar 2-Amino-5-bromobenzonitrile39263-32-646 % similar 2,7-Dibromo-9H-carbazole136630-39-245 % similar 2-Bromocarbazole3652-90-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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