3-Methyl-6-nitro-1H-indazole

C₈H₇N₃O₂CAS 6494-19-5177.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇N₃O₂
Molar mass: 177.16 g/mol
Exact mass: 177.0538 Da
Melting point: 188–188.5 °C
logP: 1.78Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

6494-19-5

SMILES

Cc1[nH]nc2cc([N+](=O)[O-])ccc12

InChIKey

FUNWSYKLFDLUIZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)

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

Names and synonyms

3 names

1H-Indazole, 3-methyl-6-nitro-
3-Methyl-6-nitroindazole
6-Nitro-3-methylindazole

Work with 3-Methyl-6-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

2,3-Dimethyl-6-nitro-2H-indazole444731-73-155 % similar 2,3-Dimethyl-5-nitro-1H-indole21296-94-653 % similar 6-Nitroindazole7597-18-450 % similar 3-Iodo-5-nitro-1H-indazole70315-69-447 % similar 5-Nitrobenzotriazole2338-12-747 % similar 4-Nitro-O-xylene99-51-446 % similar 2-Methyl-5-nitroindole7570-47-045 % similar 2-Methyl-6-nitroquinoline613-30-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-2 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-1 Luminol521-31-3 1-Methyl-5-nitroindazole5228-49-9 2-Methylpyrazolo[1,5-A]pyrimidine-6-carboxylic acid739364-95-5

Elsewhere

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