chempirical

4-Pyridinealdoxime

C6H6N2OCAS 696-54-8122.13 g/mol

Open in Covalent MOL file
HONN
Oxime

Properties

Molecular formula
C6H6N2O
Molar mass
122.13 g/mol
Exact mass
122.0480 Da
Melting point
130–133 °C
logP
0.89Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
696-54-8
SMILES
ON=Cc1ccncc1
InChIKey
OFYLBLSSPQTTHT-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H

Weigh it out

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

Names and synonyms

6 names
  • 4-Pyridinecarboxaldehyde, oxime
  • Isonicotinaldehyde, oxime
  • 4-(Hydroxyiminomethyl)pyridine
  • NSC 63847
  • 4-Pyridinaldoxime
  • Pyridine-4-carboxaldoxime

Work with 4-Pyridinealdoxime

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

Benzaldehyde oxime932-90-158 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-452 % similar trans-1,2-Bis(4-pyridyl)ethylene13362-78-248 % similar 4-Nitrobenzaldehyde oxime1129-37-942 % similar 4-Vinylpyridine100-43-642 % similar Pyridine-4-carbaldehyde872-85-542 % similar 4-Styrylpyridine103-31-141 % similar 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-338 % similar

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

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 Pyridine 2-aldoxime873-69-8

Elsewhere

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