5-Nitroindazole

C₇H₅N₃O₂CAS 5401-94-5163.14 g/mol

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Nitro

Properties

Molecular formula: C₇H₅N₃O₂
Molar mass: 163.14 g/mol
Exact mass: 163.0382 Da
Melting point: 208 °C
logP: 1.47Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed88% of notifiers
H315 Causes skin irritation96% of notifiers
H319 Causes serious eye irritation96% of notifiers
H335 May cause respiratory irritation92% of notifiers
H341 Suspected of causing genetic defects10% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5401-94-5

SMILES

O=[N+]([O-])c1ccc2[nH]ncc2c1

InChIKey

WSGURAYTCUVDQL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)

Weigh it out

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

Names and synonyms

5 names

1H-Indazole, 5-nitro-
Indazole, 5-nitro-
5-Nitro-1H-indazole
NSC 5032
5-Nitro-1H-benzopyrazole

Reactions

5-NITROINDAZOLE (Indazole, 5-nitro-)product

Work with 5-Nitroindazole

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-Nitroindole6146-52-757 % similar 3-Iodo-5-nitro-1H-indazole70315-69-454 % similar 2-Methyl-5-nitroindole7570-47-053 % similar 5-Nitrobenzotriazole2338-12-750 % similar 2-Nitronaphthalene581-89-550 % similar 6-Nitroindole4769-96-449 % similar 2-Amino-5-nitrobenzimidazole6232-92-449 % similar 1-Methyl-5-nitroindazole5228-49-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 2-Cyano-4-nitroaniline17420-30-3 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2 4-Nitro-1H-indazole2942-40-7 7-Nitroindazole2942-42-9 4-Amino-3-nitrobenzonitrile6393-40-4 4-Azidobenzoic acid6427-66-3

Elsewhere

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