chempirical

2-Pyridone

C5H5NOCAS 142-08-595.10 g/mol

Open in Covalent MOL file
HON
Phenol

Properties

Molecular formula
C5H5NO
Molar mass
95.10 g/mol
Exact mass
95.0371 Da
Melting point
107.8 °C
Boiling point
280 °C
logP
0.79Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 187 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
142-08-5
SMILES
Oc1ccccn1
InChIKey
UBQKCCHYAOITMY-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

Weigh it out

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

Names and synonyms

15 names · show all
  • 2(1H)-Pyridinone
  • 2(1H)-Pyridone
  • 2-Pyridol
  • α-Pyridone
  • 2-Oxopyridine
  • 2-Hydroxypyridine
  • 2-Pyridinol
  • 2-Pyridinone
  • 1,2-Dihydro-2-oxopyridine
  • 1H-2-Pyridone
  • α-Hydroxypyridine
  • 1H-Pyridin-2-one
  • NSC 172522
  • Pyridin-2-one
  • 1,2-Dihydropyridin-2-one

Work with 2-Pyridone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Pyridone72762-00-6

Similar compounds

2-Fluoropyridine372-48-548 % similar 2,2'-Bipyridine366-18-748 % similar 2,6-Dihydroxypyridine626-06-248 % similar 4-Hydroxypyrimidine4562-27-046 % similar 3(2H)-Pyridazinone504-30-346 % similar 4(3H)-Pyrimidinone51953-17-446 % similar 4-Hydroxy-2(1H)-pyridinone626-03-944 % similar 2,6-Dihydroxypyridine hydrochloride10357-84-343 % similar

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

Same formula

Pyrrole-2-carboxaldehyde1003-29-8 4-Hydroxypyridine108-96-3 3-Hydroxypyridine109-00-2 3-Oxocyclobutane-1-carbonitrile20249-16-5 4-Hydroxypyridine626-64-2 Pyridine-N-oxide694-59-7 Pyrrole-3-carboxaldehyde7126-39-8

Elsewhere

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