chempirical

2-Nitroimidazole

C3H3N3O2CAS 527-73-1113.08 g/mol

Open in Covalent MOL file
ON+O−NHN
Nitro

Properties

Molecular formula
C3H3N3O2
Molar mass
113.08 g/mol
Exact mass
113.0225 Da
Melting point
287 °C (decomposes)
logP
0.32Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
527-73-1
SMILES
O=[N+]([O-])c1ncc[nH]1
InChIKey
YZEUHQHUFTYLPH-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Imidazole, 2-nitro-
  • Imidazole, 2-nitro-
  • 2-Nitro-1H-imidazole
  • Azomycin
  • Amicin
  • Ro 05-9129
  • Azomycin (antiprotozoal)

Work with 2-Nitroimidazole

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

2,4-Dinitroimidazole5213-49-047 % similar 3-Nitro-1,2,4-triazole24807-55-441 % similar 5-Methyl-4-nitroimidazole14003-66-840 % similar 5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-539 % similar 4-Methyl-2-nitropyridine18368-71-339 % similar 4-Nitropyridine1122-61-839 % similar 2-Amino-5-nitropyrimidine3073-77-638 % similar 2,2′-Biimidazole492-98-837 % similar

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

Same formula

4-Nitropyrazole2075-46-9 3-Nitropyrazole26621-44-3 Nitroimidazole3034-38-6 1,2,4-Triazine-3,5(2H,4H)-dione461-89-2 1,2,4-Triazole-3-carboxylic acid4928-87-4

Elsewhere

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