2,6-Diformylpyridine

C7H5NO2CAS 5431-44-7135.12 g/mol

Open in Covalent MOL file
OON
Aldehyde

Properties

Molecular formula
C7H5NO2
Molar mass
135.12 g/mol
Exact mass
135.0320 Da
Melting point
124 °C
Boiling point
152–154 °C (at 103 Torr)
logP
0.71Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5431-44-7
SMILES
O=Cc1cccc(C=O)n1
InChIKey
PMWXGSWIOOVHEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H

Weigh it out

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Names and synonyms

5 names
  • 2,6-Pyridinedicarboxaldehyde
  • Pyridine-2,6-dicarbaldehyde
  • 2,6-Pyridinedialdehyde
  • NSC 13393
  • 2,6-Bis(formyl)pyridine

Work with 2,6-Diformylpyridine

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

2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-376 % similar 6-Chloropyridine-2-carbaldehyde54087-03-570 % similar 6-Methyl-2-pyridinecarboxaldehyde1122-72-167 % similar 6-Fluoropyridine-2-carboxaldehyde208110-81-067 % similar 6-Bromopyridine-2-carbaldehyde34160-40-267 % similar 6-Methoxy-2-pyridinecarboxaldehyde54221-96-459 % similar Pyridine-2-carbaldehyde1121-60-454 % similar 2-Quinolinecarboxaldehyde5470-96-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxybenzonitrile17345-61-8 3,5-Dihydroxybenzonitrile19179-36-3 1,2-Benzisoxazol-3(2H)-one21725-69-9 4,5-Dihydro-4-oxofuro[3,2-C]pyridine26956-43-4 2-Furoylacetonitrile31909-58-7 2(3H)-Benzoxazolone59-49-4

Elsewhere

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