chempirical

Pyridine-4-carbaldehyde

C6H5NOCAS 872-85-5107.11 g/mol

Open in Covalent MOL file
ON
Aldehyde

Properties

Molecular formula
C6H5NO
Molar mass
107.11 g/mol
Exact mass
107.0371 Da
Melting point
79–81 °C
Boiling point
77–78 °C
logP
0.89Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
872-85-5
SMILES
O=Cc1ccncc1
InChIKey
BGUWFUQJCDRPTL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H

Weigh it out

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

Names and synonyms

14 names · show all
  • 4-Pyridinecarboxaldehyde
  • Isonicotinaldehyde
  • 4-Pyridinealdehyde
  • p-Pyridinealdehyde
  • 4-Formylpyridine
  • Isonicotinic aldehyde
  • γ-Formylpyridine
  • Pyridin-4-al
  • Pyridin-4-ylcarboxaldehyde
  • p-Formylpyridine
  • NSC 8953
  • Pyridin-4-carboxaldehyde
  • 4-Pyridylcarboxyaldehyde
  • p-Pyridylaldehyde

Work with Pyridine-4-carbaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-1,2-Bis(4-pyridyl)ethylene13362-78-255 % similar Benzaldehyde100-52-752 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-852 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-748 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-348 % similar 4-Vinylpyridine100-43-648 % similar Pyrimidine-5-carboxaldehyde10070-92-548 % similar 4-(1H-Imidazol-1-yl)benzaldehyde10040-98-947 % similar

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

Same formula

Pyridine-2-carbaldehyde1121-60-4 Pyridine-3-carbaldehyde500-22-1 Nitrosobenzene586-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia