chempirical

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

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)

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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

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-Nitro-2,1,3-benzothiadiazole6583-06-848 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-447 % similar 1,2-Dinitrobenzene528-29-047 % similar 5-Nitroisoquinoline607-32-946 % 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 7-Nitroindazole2942-42-9 5-Nitroindazole5401-94-5 4-Amino-3-nitrobenzonitrile6393-40-4 4-Azidobenzoic acid6427-66-3

Elsewhere

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