1-(5-Nitro-2-pyridyl)-1,4-diazepane

C₁₀H₁₄N₄O₂CAS 287114-27-6222.25 g/mol

Open in Covalent MOL file

Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄N₄O₂
Molar mass: 222.25 g/mol
Exact mass: 222.1117 Da
logP: 0.79Crippen estimate
Polar surface area: 71.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

287114-27-6

SMILES

C1CNCCN(C1)C2=NC=C(C=C2)[N+](=O)[O-]

InChIKey

HVIKXFXKZFWDTQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2

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Names and synonyms

1 names

1-(5-Nitropyridin-2-yl)-1,4-diazepane

Work with 1-(5-Nitro-2-pyridyl)-1,4-diazepane

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-(5-Nitropyridin-2-yl)piperazine82205-58-189 % similar 2-Morpholino-5-nitropyridine26820-62-265 % similar 1-(4-Nitrophenyl)piperazine6269-89-256 % similar 1-(6-Nitropyridin-3-yl)piperazine775288-71-650 % similar 1-(2-Chloro-4-nitrophenyl)piperazine114878-60-348 % similar 1-(2-Fluoro-4-nitrophenyl)piperazine154590-33-748 % similar 6-Piperazinonicotinonitrile149554-29-048 % similar 1-(4-Nitrophenyl)piperidine6574-15-848 % similar

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

Same formula

Propanenitrile, 2,2′-[1,2-ethanediylidenebis(oxidonitrilo)]bis[2-methyl-257869-89-9 IBMX28822-58-4

Elsewhere

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