2,3-Dimethyl-5-nitro-1H-indole

C10H10N2O2CAS 21296-94-6190.20 g/mol

Open in Covalent MOL file
HNN+OO−
Nitro

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
Melting point
186 °C
logP
2.69Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
21296-94-6
SMILES
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C
InChIKey
LKIMRQIKTONPER-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/h3-5,11H,1-2H3

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Names and synonyms

6 names
  • 1H-Indole, 2,3-dimethyl-5-nitro-
  • Indole, 2,3-dimethyl-5-nitro-
  • 5-Nitro-2,3-dimethylindole
  • 2,3-Dimethyl-5-nitroindole
  • INF 2
  • NSC 84204

Work with 2,3-Dimethyl-5-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-Methyl-5-nitro-1H-indole-3-carbaldehyde3558-17-667 % similar 3-Methyl-5-nitro-1H-indazole40621-84-953 % similar 3-Methyl-6-nitro-1H-indazole6494-19-553 % similar 2-Methyl-5-nitroindole7570-47-052 % similar 2-Nitrocarbazole14191-22-150 % similar 2,3-Dimethyl-7-nitro-1H-indole41018-86-450 % similar 2-Amino-5-nitrobenzimidazole6232-92-449 % similar 3-Amino-5-nitroindazole41339-17-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 3-Benzoimidazol-1-yl-propionic acid14840-18-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 L-4-Cyanophenylalanine167479-78-9 Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-3 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 1H-Benzimidazole-2-propanoic acid23249-97-0 Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-8

Elsewhere

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