chempirical

4-Nitro-2-methylpyridine N-oxide

C6H6N2O3CAS 5470-66-6154.12 g/mol

Open in Covalent MOL file
N+OO−N+O−
Nitro

Properties

Molecular formula
C6H6N2O3
Molar mass
154.12 g/mol
Exact mass
154.0378 Da
Melting point
156–156.5 °C
logP
0.54Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
5470-66-6
SMILES
Cc1cc([N+](=O)[O-])cc[n+]1[O-]
InChIKey
FTTIAVRPJGCXAC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3

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Names and synonyms

10 names
  • Pyridine, 2-methyl-4-nitro-, 1-oxide
  • 2-Picoline, 4-nitro-, 1-oxide
  • 4-Nitro-α-picoline N-oxide
  • 2-Methyl-4-nitropyridine 1-oxide
  • 4-Nitro-2-picoline N-oxide
  • 2-Methyl-4-nitropyridine N-oxide
  • 4-Nitro-2-methylpyridine 1-oxide
  • NSC 27962
  • 2-Methyl-4-nitropyridin-1-ium-1-olate
  • 2-Methyl-4-nitro-1-oxidopyridin-1-ium

Work with 4-Nitro-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-4-nitropyridine N-oxide14432-16-761 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 2,3-Dimethyl-4-nitropyridine N-oxide37699-43-748 % similar 4-Nitro-O-xylene99-51-447 % similar 2,4-Dinitrotoluene121-14-245 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-544 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-844 % similar 2-Methyl-4-nitrophenol99-53-644 % similar

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

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 3-Hydroxy-6-methyl-2-nitropyridine15128-90-2 3-Methoxy-2-nitropyridine20265-37-6 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-8 4-Methyl-5-nitro-2(1H)-pyridinone21901-41-7

Elsewhere

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