chempirical

2,3-Dimethyl-4-nitropyridine

C7H8N2O2CAS 68707-69-7152.15 g/mol

Open in Covalent MOL file
NN+OO−
Nitro

Properties

Molecular formula
C7H8N2O2
Molar mass
152.15 g/mol
Exact mass
152.0586 Da
logP
1.61Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
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
68707-69-7
SMILES
CC1=C(C=CN=C1C)[N+](=O)[O-]
InChIKey
WSQGOUOZNCRFNQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-6(2)8-4-3-7(5)9(10)11/h3-4H,1-2H3

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Work with 2,3-Dimethyl-4-nitropyridine

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-Methyl-3-nitropyridine18699-87-162 % similar 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-561 % similar 2-Methyl-3-nitropyridine hydrochloride63585-69-357 % similar 2,6-Dinitrotoluene606-20-256 % similar 3-Nitro-o-xylene83-41-051 % similar 3-Methyl-4-nitropyridine1678-53-149 % similar 2,3-Dimethyl-4-fluoronitrobenzene1736-87-449 % similar 2,3-Dimethyl-4-nitrophenol19499-93-549 % similar

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

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1

Elsewhere

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