chempirical

7-Nitroindole

C8H6N2O2CAS 6960-42-5162.15 g/mol

Open in Covalent MOL file
ON+O−HN
Nitro

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
Melting point
113 °C
Boiling point
170–175 °C
logP
2.08Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
6960-42-5
SMILES
O=[N+]([O-])c1cccc2cc[nH]c12
InChIKey
LZJGQIVWUKFTRD-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H

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Names and synonyms

4 names
  • 1H-Indole, 7-nitro-
  • Indole, 7-nitro-
  • 7-Nitro-1H-indole
  • NSC 69874

Work with 7-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,8-Dinitronaphthalene602-38-056 % similar 1-Nitronaphthalene86-57-753 % similar 1,2-Dinitrobenzene528-29-050 % similar 1,5-Dinitronaphthalene605-71-050 % similar 7-Nitroindazole2942-42-949 % similar 7-Nitro-1H-indole-2-carboxylic acid6960-45-848 % similar 7-Nitro-1H-indole-3-carboxaldehyde10553-14-748 % similar 8-Nitroquinoline607-35-247 % 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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