5-Nitro-1H-pyrrolo[2,3-B]pyridine

C7H5N3O2CAS 101083-92-5163.14 g/mol

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HNNN+OO−
Nitro

Properties

Molecular formula
C7H5N3O2
Molar mass
163.14 g/mol
Exact mass
163.0382 Da
logP
1.47Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
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
101083-92-5
SMILES
C1=CNC2=NC=C(C=C21)[N+](=O)[O-]
InChIKey
INMIPMLIYKQQID-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-3-5-1-2-8-7(5)9-4-6/h1-4H,(H,8,9)

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Names and synonyms

1 names
  • 5-Nitro-7-azaindole

Work with 5-Nitro-1H-pyrrolo[2,3-B]pyridine

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-Nitroindole6146-52-757 % similar 6-Nitroindole4769-96-453 % similar 2-Fluoro-5-nitropyridine456-24-647 % similar 5-Nitroindazole5401-94-546 % similar 4-Nitro-7-azaindole83683-82-346 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-446 % similar 5-Fluoro-1H-pyrrolo[2,3-B]pyridine866319-00-846 % similar 5-Chloro-7-azaindole866546-07-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 2-Cyano-4-nitroaniline17420-30-3 3-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2

Elsewhere

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