chempirical

Pyridine-3-carbaldehyde

C6H5NOCAS 500-22-1107.11 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
226 °C (decomposes)
Boiling point
89.5 °C
logP
0.89Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
500-22-1
SMILES
O=Cc1cccnc1
InChIKey
QJZUKDFHGGYHMC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H

Weigh it out

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

Names and synonyms

18 names · show all
  • 3-Pyridinecarboxaldehyde
  • Nicotinaldehyde
  • 3-Pyridinealdehyde
  • β-Pyridinecarbonaldehyde
  • Rowalind
  • 3-Pyridylcarboxaldehyde
  • 3-Pyridinaldehyde
  • 3-Formylpyridine
  • 3-Pyridylaldehyde
  • Nicotinealdehyde
  • Nicotinic aldehyde
  • β-Formylpyridine
  • m-Formylpyridine
  • NSC 8952
  • Pyridine-5-carboxaldehyde
  • 3-Pyridylcarboxyaldehyde
  • Pyridine-3-formaldehyde
  • Pyridine-3-carboxaldehyde

Work with Pyridine-3-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

3-(3-Pyridyl)benzaldehyde131231-24-863 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-762 % similar 3-Vinylpyridine1121-55-756 % similar Pyrimidine-5-carboxaldehyde10070-92-552 % similar Benzaldehyde100-52-750 % similar Nicotinaldoxime1193-92-650 % similar 3-(3-Pyridinyl)-2-propenoic acid1126-74-547 % similar trans-3-(3-Pyridyl)acrylic acid19337-97-447 % similar

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

Same formula

Pyridine-2-carbaldehyde1121-60-4 Nitrosobenzene586-96-9 Pyridine-4-carbaldehyde872-85-5

Elsewhere

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