chempirical

6-Nitroindole

C8H6N2O2CAS 4769-96-4162.15 g/mol

Open in Covalent MOL file
ON+O−NH
Nitro

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
Melting point
139–140.5 °C
logP
2.08Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
4769-96-4
SMILES
O=[N+]([O-])c1ccc2cc[nH]c2c1
InChIKey
PSWCIARYGITEOY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole, 6-nitro-
  • Indole, 6-nitro-
  • 6-Nitro-1H-indole
  • NSC 89285

Work with 6-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

5-Nitroindole6146-52-775 % similar 2-Nitronaphthalene581-89-553 % similar 5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-553 % similar 5-Nitrobenzimidazole94-52-053 % similar 2-Amino-5-nitrobenzimidazole6232-92-451 % similar 5-Nitrobenzotriazole2338-12-749 % similar 6-Nitroindazole7597-18-449 % similar 1,4-Dinitrobenzene100-25-448 % 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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