chempirical

2,3-Dimethyl-7-nitro-1H-indole

C10H10N2O2CAS 41018-86-4190.20 g/mol

Open in Covalent MOL file
NHN+OO−
Nitro

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
Melting point
164 °C
logP
2.69Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
41018-86-4
SMILES
Cc1[nH]c2c([N+](=O)[O-])cccc2c1C
InChIKey
ONCCVOJTXZBTDY-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-8(6)4-3-5-9(10)12(13)14/h3-5,11H,1-2H3

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Names and synonyms

4 names
  • 1H-Indole, 2,3-dimethyl-7-nitro-
  • Indole, 2,3-dimethyl-7-nitro-
  • 2,3-Dimethyl-7-nitroindole
  • NSC 88618

Work with 2,3-Dimethyl-7-nitro-1H-indole

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

2,6-Dinitrotoluene606-20-257 % similar 3-Nitro-O-xylene83-41-053 % similar 1,5-Dinitronaphthalene605-71-051 % similar 2-Bromo-6-nitrotoluene55289-35-550 % similar 2-Methyl-3-nitroaniline603-83-850 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-150 % similar 2-Methyl-3-nitrophenol5460-31-149 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-849 % similar

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

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 2-Cyano-D-phenylalanine263396-41-4 3-Cyano-D-phenylalanine263396-43-6 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-3 Ethyl 3-indazolecarboxylate4498-68-4 1-(Phenylmethyl)-2,4-imidazolidinedione6777-05-5

Elsewhere

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