chempirical

6-Nitroindazole

C7H5N3O2CAS 7597-18-4163.14 g/mol

Open in Covalent MOL file
ON+O−NHN
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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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)

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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 6-Nitroindole4769-96-449 % similar 2-Methyl-6-nitroquinoline613-30-948 % similar 5-Nitrobenzotriazole2338-12-746 % similar 6-Nitroquinoline613-50-346 % 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 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2 4-Nitro-1H-indazole2942-40-7 7-Nitroindazole2942-42-9 5-Nitroindazole5401-94-5

Elsewhere

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