chempirical

Nicotinaldoxime

C6H6N2OCAS 1193-92-6122.13 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
150 °C
logP
0.89Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
1193-92-6
SMILES
ON=Cc1cccnc1
InChIKey
YBKOPFQCLSPTPV-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H

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

Names and synonyms

7 names
  • 3-Pyridinecarboxaldehyde, oxime
  • Nicotinaldehyde, oxime
  • 3-Pyridinaldoxime
  • 3-Pyridinecarboxaldoxime
  • 3-Pyridylaldoxime
  • 3-[(Hydroxyimino)methyl]pyridine
  • NSC 66485

Work with Nicotinaldoxime

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 oxime932-90-156 % similar 3-Vinylpyridine1121-55-750 % similar Pyridine-3-carbaldehyde500-22-150 % similar 3-(3-Pyridinyl)-2-propenoic acid1126-74-543 % similar trans-3-(3-Pyridyl)acrylic acid19337-97-443 % similar Pymetrozine123312-89-041 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-441 % similar 3-Hydroxypyridine109-00-240 % 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 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 4-Pyridinealdoxime696-54-8 Pyridine 2-aldoxime873-69-8

Elsewhere

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