1-(6-Nitropyridin-3-yl)piperazine

C9H12N4O2CAS 775288-71-6208.22 g/mol

Open in Covalent MOL file
NHNNN+OO−
NitroSecondary amineTertiary amine

Properties

Molecular formula
C9H12N4O2
Molar mass
208.22 g/mol
Exact mass
208.0960 Da
logP
0.40Crippen estimate
Polar surface area
71.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
775288-71-6
SMILES
C1CN(CCN1)C2=CN=C(C=C2)[N+](=O)[O-]
InChIKey
UBCDLQPOKISIDX-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N4O2/c14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2

Weigh it out

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

Work with 1-(6-Nitropyridin-3-yl)piperazine

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)piperazine6269-89-262 % similar 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-757 % similar 1-(5-Nitro-2-pyridyl)-1,4-diazepane287114-27-650 % similar 5-Bromo-2-nitropyridine39856-50-350 % similar 5-Chloro-2-nitropyridine52092-47-450 % similar 1-(2-Nitrophenyl)piperazine59084-06-948 % similar 5-Methyl-2-nitropyridine1074-38-046 % similar 5-Fluoro-2-nitropyridine779345-37-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,7-Dihydro-3-methyl-7-propyl-1H-purine-2,6-dione55242-64-3 4-(5-Nitropyridin-2-yl)piperazine82205-58-1 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione832-66-6

Elsewhere

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