1-(4-Nitrophenyl)-1H-pyrrole

C10H8N2O2CAS 4533-42-0188.19 g/mol

Open in Covalent MOL file
NN+OO−
Nitro

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
logP
2.39Crippen estimate
Polar surface area
48.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
4533-42-0
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
PWCFKNYSCGRNRW-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8H

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Names and synonyms

1 names
  • 1-(4-(Hydroxy(oxido)amino)phenyl)-1H-pyrrole

Work with 1-(4-Nitrophenyl)-1H-pyrrole

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

1-(4-Nitrophenyl)-1H-imidazole2301-25-962 % similar 1,4-Dinitrobenzene100-25-460 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-154 % similar Nitrobenzene98-95-354 % similar 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-453 % similar 4-Nitro-1,1'-biphenyl92-93-352 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-150 % similar 4-Nitrochlorobenzene100-00-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0

Elsewhere

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