Pyridine-4-carbaldehyde

C6H5NOCAS 872-85-5107.11 g/mol

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Aldehyde

Properties

Molecular formula
C6H5NO
Molar mass
107.11 g/mol
Exact mass
107.0371 Da
Density
1.137 g/mL (at 25 °C)
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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

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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

4-(4-Pyridinyl)benzaldehyde99163-12-973 % similar 1,4-Benzenedicarboxaldehyde623-27-861 % similar 4,4′-(1E)-1,2-Ethenediylbis[pyridine]13362-78-255 % similar Pyridazine-4-carbaldehyde50901-42-354 % similar 3-(Pyridin-4-yl)benzaldehyde208190-04-954 % similar Benzaldehyde100-52-752 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-852 % similar 2 2'-Bipyridine-4 4'-dicarboxaldehyde99970-84-052 % 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

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