5-Amino-6-nitroquinoline

C9H7N3O2CAS 35975-00-9189.17 g/mol

Open in Covalent MOL file
NH2N+OO−N
NitroPrimary amine

Properties

Molecular formula
C9H7N3O2
Molar mass
189.17 g/mol
Exact mass
189.0538 Da
Melting point
272 °C (decomposes)
logP
1.73Crippen estimate
Polar surface area
82.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
35975-00-9
SMILES
Nc1c([N+](=O)[O-])ccc2ncccc12
InChIKey
TYBYHEXFKFLRFT-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2

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Names and synonyms

3 names
  • 5-Quinolinamine, 6-nitro-
  • 6-Nitro-5-quinolinamine
  • 6-Nitroquinolin-5-ylamine

Work with 5-Amino-6-nitroquinoline

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-Nitroquinoline607-34-163 % similar 2-Nitro-1-naphthylamine607-23-859 % similar 2-Amino-3-nitropyridine4214-75-954 % similar 2,6-Dinitroaniline606-22-453 % similar 2-Nitro-3-pyridinamine13269-19-750 % similar Nitroxoline4008-48-450 % similar 3-Nitro-7-azaindole23709-47-949 % similar 5-Nitro-1,10-phenanthroline4199-88-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4H-1,2,4-Triazol-4-yl)benzoic acid157069-48-2 3-(1H-1,2,4-Triazol-1-yl)benzoic acid167626-64-4 3-(4-Nitrophenyl)-1H-pyrazole20583-31-7 1-(4-Nitrophenyl)-1H-imidazole2301-25-9 6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid253315-22-9

Elsewhere

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