chempirical

7-Nitroindazole

C7H5N3O2CAS 2942-42-9163.14 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
186.5–187.5 °C
logP
1.47Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2942-42-9
SMILES
O=[N+]([O-])c1cccc2c[nH]nc12
InChIKey
PQCAUHUKTBHUSA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)

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Names and synonyms

3 names
  • 1H-Indazole, 7-nitro-
  • 7-Nitro-1H-indazole
  • NSC 72843

Work with 7-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

8-Nitroquinoline607-35-257 % similar 1,8-Dinitronaphthalene602-38-053 % similar 2-Methyl-8-nitroquinoline881-07-251 % similar 6-Chloro-5-nitro-1H-indazole101420-98-850 % similar 1-Nitronaphthalene86-57-750 % similar 7-Nitroindole6960-42-549 % similar 4-Nitro-2,1,3-benzothiadiazole6583-06-848 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-447 % 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 5-Nitroindazole5401-94-5 4-Amino-3-nitrobenzonitrile6393-40-4 4-Azidobenzoic acid6427-66-3

Elsewhere

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