2-Methyl-5-nitroindole

C₉H₈N₂O₂CAS 7570-47-0176.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈N₂O₂
Molar mass: 176.18 g/mol
Exact mass: 176.0586 Da
Melting point: 171.5–172.5 °C
logP: 2.38Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7570-47-0

SMILES

Cc1cc2cc([N+](=O)[O-])ccc2[nH]1

InChIKey

IDJGRXQMAHESOD-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3

Weigh it out

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

Names and synonyms

4 names

1H-Indole, 2-methyl-5-nitro-
Indole, 2-methyl-5-nitro-
2-Methyl-5-nitro-1H-indole
NSC 131898

Work with 2-Methyl-5-nitroindole

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-(tert-Butyl)-5-nitro-1H-indole174274-85-267 % similar 5-Nitroindole-2-carboxylic acid16730-20-456 % similar 5-Nitroindole6146-52-755 % similar 5-Nitroindazole5401-94-553 % similar 2,3-Dimethyl-5-nitro-1H-indole21296-94-652 % similar Ethyl 5-nitroindole-2-carboxylate16732-57-352 % similar 2-Amino-5-nitrobenzimidazole6232-92-451 % similar 2,5-Dimethylindole1196-79-850 % 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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