3-Methylpyridine N-oxide
Properties
- Molecular formula
- C6H7NO
- Molar mass
- 109.13 g/mol
- Exact mass
- 109.0528 Da
- Melting point
- 39 °C
- Boiling point
- 148 °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 irritation93.5% of notifiers
Aggregated from 46 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
1003-73-2SMILES
Cc1ccc[n+]([O-])c1InChIKey
DMGGLIWGZFZLIY-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Pyridine, 3-methyl-, 1-oxide
- 3-Picoline, 1-oxide
- 3-Methylpyridine 1-oxide
- 3-Picoline N-oxide
- β-Picoline N-oxide
- β-Picoline 1-oxide
- β-Picoline oxide
- NSC 18254
- 3-Methylpyridin-1-ium-1-olate
- 3-Picoline-N-oxide
Work with 3-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
3-Fluoropyridine N-oxide695-37-452 % similar
3-Chloropyridine N-oxide1851-22-550 % similar
3-Bromopyridine oxide2402-97-350 % similar
Pyridin-3-ol 1-oxide6602-28-450 % similar
3-Cyanopyridine 1-oxide14906-64-045 % similar
Pyridine-N-oxide694-59-743 % similar
Isoquinolin-N-oxide1532-72-541 % similar
Nicotinamide N-oxide1986-81-841 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.