Pyridine-N-oxide
Properties
- Molecular formula
- C5H5NO
- Molar mass
- 95.10 g/mol
- Exact mass
- 95.0371 Da
- Melting point
- 65.5 °C
- Boiling point
- 100–105 °C
- logP
- 0.32Crippen estimate
- Polar surface area
- 26.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed11.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
694-59-7SMILES
[O-][n+]1ccccc1InChIKey
ILVXOBCQQYKLDS-UHFFFAOYSA-NInChI
InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Pyridine, 1-oxide
- Pyridine N-oxide
- Pyridine oxide
- NSC 18250
- 1-Oxidopyridin-1-ium
Reactions
Work with Pyridine-N-oxide
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
4-Phenylpyridine 1-oxide1131-61-950 % similar
3-Methylpyridine N-oxide1003-73-243 % similar
3-Fluoropyridine N-oxide695-37-439 % similar
4-Methylpyridine N-oxide1003-67-438 % similar
4-Chloropyridine N-oxide1121-76-238 % similar
4-Bromopyridine N-oxide14248-50-138 % similar
3-Chloropyridine N-oxide1851-22-538 % similar
3-Bromopyridine oxide2402-97-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds