chempirical

3-Nitro-7-azaindole

C7H5N3O2CAS 23709-47-9163.14 g/mol

Open in Covalent MOL file
HNN+OO−N
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

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
23709-47-9
SMILES
C1=CC2=C(NC=C2[N+](=O)[O-])N=C1
InChIKey
DTLVPICXPRRMOQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-4-9-7-5(6)2-1-3-8-7/h1-4H,(H,8,9)

Weigh it out

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Work with 3-Nitro-7-azaindole

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

4-Nitro-7-azaindole83683-82-361 % similar 5-Nitroquinoline607-34-154 % similar 5-Nitro-1,10-phenanthroline4199-88-650 % similar 5-Amino-6-nitroquinoline35975-00-949 % similar Nitroxoline4008-48-449 % similar 2-Fluoro-3-nitropyridine1480-87-149 % similar 2-Methyl-3-nitropyridine18699-87-149 % similar 2-Bromo-3-nitropyridine19755-53-449 % similar

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

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 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 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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