chempirical

4-Methyl-5-nitro-2(1H)-pyridinone

C6H6N2O3CAS 21901-41-7154.13 g/mol

Open in Covalent MOL file
OHNN+OO−
NitroPhenol

Properties

Molecular formula
C6H6N2O3
Molar mass
154.13 g/mol
Exact mass
154.0378 Da
Melting point
189–190 °C
logP
1.00Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
21901-41-7
SMILES
Cc1cc(O)ncc1[N+](=O)[O-]
InChIKey
AIEHUZHKFUNHCJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-4-2-6(9)7-3-5(4)8(10)11/h2-3H,1H3,(H,7,9)

Weigh it out

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

Names and synonyms

7 names
  • 2(1H)-Pyridinone, 4-methyl-5-nitro-
  • 2-Pyridinol, 4-methyl-5-nitro-
  • 2-Hydroxy-4-methyl-5-nitropyridine
  • NSC 402987
  • 4-Methyl-5-nitropyridin-2-ol
  • 4-Methyl-5-nitropyridin-2(1H)-one
  • 4-Methyl-5-nitro-1,2-dihydropyridin-2-one

Work with 4-Methyl-5-nitro-2(1H)-pyridinone

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-Fluoro-4-methyl-5-nitropyridine19346-47-567 % similar 2-Amino-5-nitro-4-picoline21901-40-662 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-962 % similar 2-Bromo-4-methyl-5-nitropyridine23056-47-562 % similar 2-Methoxy-4-methyl-5-nitropyridine6635-90-159 % similar 4-Methyl-3-nitropyridine5832-44-054 % similar 4-Methyl-3-nitrophenol2042-14-053 % similar 3-Methyl-4-nitrophenol2581-34-253 % 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 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook