CAS: 37699-43-7
Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
SMILES:
CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-]Molecular Processing
Molecular formula
C7H8N2O3
Molecular weight
168.15
Exact mass
168.0535
XLogP
0.85
TPSA
70.08
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
41.53
Supplementary Information
InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N
Synonyms
37699-43-72,3-Dimethyl-4-nitropyridine 1-oxide2,3-Dimethyl-4-nitropyridine N-Oxide2,3-Dimethyl-4-nitropyridine-N-oxidePyridine, 2,3-dimethyl-4-nitro-, 1-oxide4-Nitro-2,3-lutidine N-oxide2,3-dimethyl-4-nitropyridin-1-ium-1-olate2,3-dimethyl-4-nitro-1-oxidopyridin-1-iumBRN 1569438V7T97WM6BADTXSID50191134DIMETHYL-4-NITROPYRIDINE 1-OXIDE, 2,3-RefChem:442494DTXCID60113625609-469-14-Nitro-2,3-lutidine-N-oxide2,3-dimethyl-4-nitro-1-oxido-pyridin-1-iumLansoprazole Impurity 21MFCD00065172Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide; 2,3-Lutidine, 4-nitro-, 1-oxide (7CI); 2,3-Dimethyl-4-nitro-1-oxidopyridin-1-ium; 2,3-Dimethyl-4-nitropyridine 1-oxide; 2,3-Dimethyl-4-nitropyridine N-oxide; 4-Nitro-2,3-dimethylpyridine N-oxide4-Nitro-2,3-dimethylpyridine N-oxide2,3-dimethyl-4-nitropyridine-1-oxideLansoprazole Impurit 9Lansoprazole Nitro ImpurityUNII-V7T97WM6BASCHEMBL539611SCHEMBL29440728CFMTVTYBZMKULI-UHFFFAOYSA-N2,3-dimethyl-4-nitropyridin-1-olSBB065231
Involved in 48 reactions→