chempirical

4-Ethoxy-3-nitropyridine

C7H8N2O3CAS 1796-84-5168.15 g/mol

Open in Covalent MOL file
ONN+OO−
EtherNitro

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
Melting point
49–50 °C
logP
1.39Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
1796-84-5
SMILES
CCOc1ccncc1[N+](=O)[O-]
InChIKey
ABOSMHRLVUWEMT-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-2-12-7-3-4-8-5-6(7)9(10)11/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Pyridine, 4-ethoxy-3-nitro-
  • 3-Nitro-4-ethoxypyridine
  • NSC 611545

Work with 4-Ethoxy-3-nitropyridine

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-Methoxy-3-nitropyridine31872-62-566 % similar 1-Ethoxy-2-nitrobenzene610-67-363 % similar 1,4-Diethoxy-2-nitrobenzene119-23-359 % similar 3-Ethoxy-2-nitropyridine74037-50-657 % similar 4-Methyl-3-nitropyridine5832-44-054 % similar 4-Chloro-3-nitropyridine13091-23-151 % similar 4-Ethoxy-3-pyridinamine1633-43-850 % similar 3-Methyl-4-nitropyridine1678-53-150 % similar

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

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5 2-Ethoxy-5-nitropyridine31594-45-3 2,3-Dimethyl-4-nitropyridine N-oxide37699-43-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook