Pyridine-2-carbaldehyde
Properties
- Molecular formula
- C6H5NO
- Molar mass
- 107.11 g/mol
- Exact mass
- 107.0371 Da
- Density
- 1.1255 g/mL (at 18.5 °C)
- Melting point
- 148–151 °C
- Boiling point
- 180 °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 vapor17.1% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage28.9% of notifiers
- H315 Causes skin irritation71.1% of notifiers
- H317 May cause an allergic skin reaction94.7% of notifiers
- H318 Causes serious eye damage80.3% of notifiers
- H330 Fatal if inhaled77.6% of notifiers
- H331 Toxic if inhaled14.5% of notifiers
- H335 May cause respiratory irritation67.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects23.7% of notifiers
Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1121-60-4SMILES
O=Cc1ccccn1InChIKey
CSDSSGBPEUDDEE-UHFFFAOYSA-NInChI
InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
21 names · show all
- 2-Pyridinecarboxaldehyde
- Picolinaldehyde
- Pyridine-2-aldehyde
- 2-Pyridaldehyde
- 2-Picolinaldehyde
- 2-Pyridinecarbaldehyde
- o-Nicotinaldehyde
- 2-Formylpyridine
- 2-Pyridinaldehyde
- Picolinal
- 2-Picolinealdehyde
- 2-Pyridylcarboxaldehyde
- Picolinic aldehyde
- α-Picolinaldehyde
- α-Formylpyridine
- Pyridin-2-al
- o-Formylpyridine
- Picolylaldehyde
- NSC 8951
- 2-Pydridinecarboxaldehyde
- o-Pyridinemethanal
Work with Pyridine-2-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
2,2′-(1,2-Ethenediyl)bis[pyridine]1437-15-661 % similar
2,6-Diformylpyridine5431-44-754 % similar
2-Vinylpyridine100-69-654 % similar
Pyrimidine-4-carboxaldehyde2435-50-952 % similar
5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-848 % similar
4-(2-Pyridinyl)benzaldehyde127406-56-848 % similar
Pyridine 2-aldoxime873-69-848 % similar
2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-348 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.