chempirical

2-Methylpyridine 1-oxide

C6H7NOCAS 931-19-1109.13 g/mol

Open in Covalent MOL file
N+O−

Properties

Molecular formula
C6H7NO
Molar mass
109.13 g/mol
Exact mass
109.0528 Da
Melting point
48–50 °C
Boiling point
123 °C (at 9 Torr)
logP
0.63Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
931-19-1
SMILES
Cc1cccc[n+]1[O-]
InChIKey
CFZKDDTWZYUZKS-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Pyridine, 2-methyl-, 1-oxide
  • 2-Picoline, 1-oxide
  • α-Picoline N-oxide
  • 2-Methylpyridine N-oxide
  • α-Picoline 1-oxide
  • NSC 18253
  • 2-Methyl-1-oxidopyridin-1-ium
  • 2-Methylpyridin-1-ium-1-olate

Work with 2-Methylpyridine 1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethylpyridine N-oxide1073-23-050 % similar 2-Mercaptopyridine N-oxide1121-31-948 % similar 2-Hydroxypyridine N-oxide13161-30-348 % similar 2-Chloropyridine N-oxide2402-95-148 % similar Dipyrithione3696-28-448 % similar 2-Picoline-borane3999-38-048 % similar 2,3-Dimethylpyridine N-oxide22710-07-245 % similar 2-Chloropyridine N-oxide hydrochloride20295-64-143 % similar

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

Same formula

2-Hydroxy-3-methylpyridine1003-56-1 4-Methylpyridine N-oxide1003-67-4 2-Hydroxy-5-methylpyridine1003-68-5 3-Methylpyridine N-oxide1003-73-2 3-Pyridinemethanol100-55-0 Phenylhydroxylamine100-65-2 3-Acetylpyrrole1072-82-8 2-Acetylpyrrole1072-83-9

Elsewhere

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