5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine

C₁₅H₁₆N₂O₃CAS 85583-54-6272.30 g/mol

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Properties

Molecular formula: C₁₅H₁₆N₂O₃
Molar mass: 272.30 g/mol
Exact mass: 272.1161 Da
Melting point: 53–55 °C
logP: 3.17Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Identifiers

CAS number

85583-54-6

SMILES

CCc1ccc(CCOc2ccc([N+](=O)[O-])cc2)nc1

InChIKey

KGCCHRPMSPXKJE-UHFFFAOYSA-N

InChI

InChI=1S/C15H16N2O3/c1-2-12-3-4-13(16-11-12)9-10-20-15-7-5-14(6-8-15)17(18)19/h3-8,11H,2,9-10H2,1H3

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Names and synonyms

3 names

Pyridine, 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]-
4-[2-(5-Ethyl-2-pyridyl)ethoxy]nitrobenzene
4-[2-(5-Ethyl-2-pyridinyl)ethoxy]nitrobenzene

Work with 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine

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-Ethyl-4-nitrobenzene100-12-953 % similar P-Nitrophenetole100-29-853 % similar 1-Butoxy-4-nitrobenzene7244-78-252 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-152 % similar Pioglitazone111025-46-848 % similar 1-(2-Bromoethoxy)-4-nitrobenzene13288-06-748 % similar 2-(4-Nitrophenoxy)ethanol16365-27-848 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-048 % similar

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

Same formula

5-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene1032903-62-0 N-2-Naphthalenyl-L-glutamine14525-44-1 4-Benzoylamino-2,5-dimethoxyaniline6268-05-9

Elsewhere

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