6-Nitroindazole

C₇H₅N₃O₂CAS 7597-18-4163.14 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₇H₅N₃O₂
Molar mass: 163.14 g/mol
Exact mass: 163.0382 Da
Melting point: 181 °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 swallowed91.3% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled89.1% of notifiers
H335 May cause respiratory irritation95.7% of notifiers
H351 Suspected of causing cancer89.1% of notifiers

Aggregated from 46 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, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7597-18-4

SMILES

O=[N+]([O-])c1ccc2c[nH]nc2c1

InChIKey

ORZRMRUXSPNQQL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

6-Nitroisoindazole
1H-Indazole, 6-nitro-
Indazole, 6-nitro-
6-Nitro-1H-indazole
NSC 35066
NSC 56816

Work with 6-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

7-Nitroquinoline613-51-454 % similar 6-Chloro-5-nitro-1H-indazole101420-98-854 % similar 2-Nitronaphthalene581-89-550 % similar 3-Methyl-6-nitro-1H-indazole6494-19-550 % similar 3-Bromo-6-nitroindazole70315-68-350 % similar 3-Iodo-6-nitroindazole70315-70-750 % similar 6-Nitroindole4769-96-449 % similar 2-Methyl-6-nitroquinoline613-30-948 % 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 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 2-Cyano-4-nitroaniline17420-30-3 3-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6

Elsewhere

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