1-Methyl-5-nitro-1H-indole

C9H8N2O2CAS 29906-67-0176.17 g/mol

Open in Covalent MOL file
NN+OO−
Nitro

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
2.09Crippen estimate
Polar surface area
48.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
29906-67-0
SMILES
CN1C=CC2=C1C=CC(=C2)[N+](=O)[O-]
InChIKey
PXBQSCHRKSBGKV-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-6H,1H3

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Names and synonyms

1 names
  • 1H-Indole, 1-methyl-5-nitro-

Work with 1-Methyl-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

1-Methyl-5-nitroindazole5228-49-956 % similar 2-Nitronaphthalene581-89-549 % similar 5-Bromo-1-methyl-1H-indole10075-52-247 % similar 1-Methyl-1H-indol-5-amine102308-97-447 % similar 4-Nitro-o-xylene99-51-445 % similar 4-Nitro-1,2-phenylenediamine99-56-945 % similar 1-Methyl-1H-indole-5-carboxylic acid186129-25-944 % similar 2-Methyl-5-nitroindole7570-47-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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