3-Nitro-4-quinolinol

C₉H₆N₂O₃CAS 50332-66-6190.16 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₉H₆N₂O₃
Molar mass: 190.16 g/mol
Exact mass: 190.0378 Da
logP: 1.44Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50332-66-6

SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]

InChIKey

ZWISCKSGNCMAQO-UHFFFAOYSA-N

InChI

InChI=1S/C9H6N2O3/c12-9-6-3-1-2-4-7(6)10-5-8(9)11(13)14/h1-5H,(H,10,12)

Weigh it out

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

Work with 3-Nitro-4-quinolinol

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

6-Bromo-3-nitro-4-quinolinol853908-50-663 % similar N-(2-Methylpropyl)-3-nitro-4-quinolinamine99009-85-553 % similar 4-Nitroindole4769-97-551 % similar 1,4-Dinitronaphthalene6921-26-250 % similar 3-Nitro-7-azaindole23709-47-948 % similar 1,5-Dinitronaphthalene605-71-046 % similar 1,2-Dinitrobenzene528-29-045 % similar 1-Nitronaphthalene86-57-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Nitro-1H-indole-3-carboxaldehyde10553-14-7 4-Nitrobenzoylacetonitrile3383-43-5 Nitroxoline4008-48-4 4-Nitroquinoline 1-oxide56-57-5 5-Nitro-1H-indole-3-carbaldehyde6625-96-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook