4-Methylpyridine N-oxide
Properties
- Molecular formula
- C6H7NO
- Molar mass
- 109.13 g/mol
- Exact mass
- 109.0528 Da
- Melting point
- 38–40 °C
- Boiling point
- 150 °C
- logP
- 0.63Crippen estimate
- Polar surface area
- 26.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 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
1003-67-4SMILES
Cc1cc[n+]([O-])cc1InChIKey
IWYYIZOHWPCALJ-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Pyridine, 4-methyl-, 1-oxide
- 4-Picoline, 1-oxide
- γ-Picoline N-oxide
- 4-Picoline N-oxide
- 4-Methylpyridine 1-oxide
- 4-Picoline oxide
- 4-Methylpyridine oxide
- γ-Picoline 1-oxide
- γ-Picoline oxide
- NSC 5086
Work with 4-Methylpyridine 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-Methoxypyridine N-oxide1122-96-948 % similar
4-Chloropyridine N-oxide1121-76-248 % similar
4-Bromopyridine N-oxide14248-50-148 % similar
4-Phenylpyridine 1-oxide1131-61-946 % similar
P-Xylene106-42-344 % similar
4-Cyanopyridine N-oxide14906-59-342 % similar
Toluene108-88-340 % similar
4-Nitropyridine-N-oxide1124-33-039 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.