chempirical

2-Ethoxy-5-nitropyridine

C7H8N2O3CAS 31594-45-3168.15 g/mol

Open in Covalent MOL file
ON+OO−N
EtherNitro

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
Melting point
72 °C
logP
1.39Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
31594-45-3
SMILES
CCOc1ccc([N+](=O)[O-])cn1
InChIKey
LYDVDLYMQVSLQD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-2-12-7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3

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Names and synonyms

2 names
  • Pyridine, 2-ethoxy-5-nitro-
  • NSC 165481

Work with 2-Ethoxy-5-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

6-Methoxy-3-nitropyridine5446-92-465 % similar P-Nitrophenetole100-29-859 % similar 2-Morpholino-5-nitropyridine26820-62-251 % similar 2-Chloro-5-nitropyridine4548-45-250 % similar 2,2′-Dithiobis[5-nitropyridine]2127-10-849 % similar 2-Bromo-5-nitropyridine4487-59-649 % similar 2-Fluoro-5-nitropyridine456-24-649 % similar 6-Ethoxypyridin-3-amine52025-34-049 % 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 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5 2,3-Dimethyl-4-nitropyridine N-oxide37699-43-7

Elsewhere

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