4-Nitro-1H-indazole

C7H5N3O2CAS 2942-40-7163.14 g/mol

Open in Covalent MOL file
ON+O−NNH
Nitro

Properties

Molecular formula
C7H5N3O2
Molar mass
163.14 g/mol
Exact mass
163.0382 Da
Melting point
202–203 °C
logP
1.47Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2942-40-7
SMILES
O=[N+]([O-])c1cccc2n[nH]cc12
InChIKey
WBTVZVUYPVQEIF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indazole, 4-nitro-
  • 4-Nitroindazole
  • NSC 96892

Work with 4-Nitro-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

7-Nitroindazole2942-42-958 % similar 1,5-Dinitronaphthalene605-71-056 % similar 5-Nitroquinoline607-34-155 % similar 6-Chloro-5-nitro-1H-indazole101420-98-850 % similar 1-Nitronaphthalene86-57-750 % similar 4-Nitroindole4769-97-549 % similar 4-Nitro-2,1,3-benzothiadiazole6583-06-848 % similar 1-Bromo-5-nitronaphthalene5328-76-747 % 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

PubChem CAS Common Chemistry NIST WebBook