Pyridine-3-carbaldehyde
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
Hazards
Danger
- H226 Flammable liquid and vapor61.3% of notifiers
- H302 Harmful if swallowed58.7% of notifiers
- H315 Causes skin irritation62.7% of notifiers
- H317 May cause an allergic skin reaction98.7% of notifiers
- H318 Causes serious eye damage60% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled38.7% of notifiers
- H335 May cause respiratory irritation60% of notifiers
- H341 Suspected of causing genetic defects37.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects60% of notifiers
Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
500-22-1SMILES
O=Cc1cccnc1InChIKey
QJZUKDFHGGYHMC-UHFFFAOYSA-NInChI
InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5HWeigh 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
Pyridazine-4-carbaldehyde50901-42-352 % similar
Benzaldehyde100-52-750 % similar
Nicotinaldoxime1193-92-650 % similar
Isophthalaldehyde626-19-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.