4-Nitroindole

C₈H₆N₂O₂CAS 4769-97-5162.15 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₈H₆N₂O₂
Molar mass: 162.15 g/mol
Exact mass: 162.0429 Da
Melting point: 205–206 °C
logP: 2.08Crippen 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
H351 Suspected of causing cancer50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4769-97-5

SMILES

O=[N+]([O-])c1cccc2[nH]ccc12

InChIKey

LAVZKLJDKGRZJG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H

Weigh it out

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

Names and synonyms

3 names

1H-Indole, 4-nitro-
Indole, 4-nitro-
4-Nitro-1H-indole

Reactions

4-NITROINDOLE (Indole, 4-nitro-)product

Work with 4-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

1,5-Dinitronaphthalene605-71-060 % similar 7-Nitroindole6960-42-556 % similar 1-Nitronaphthalene86-57-753 % similar 1,2-Dinitrobenzene528-29-050 % similar 4-Nitro-1H-indazole2942-40-749 % similar 2,6-Dinitrophenol573-56-847 % similar 1,8-Dinitronaphthalene602-38-047 % similar 2,6-Dinitrotoluene606-20-247 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo[1,2-A]pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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