chempirical

4-Nitropyridine

C5H4N2O2CAS 1122-61-8124.10 g/mol

Open in Covalent MOL file
NN+OO−
Nitro

Properties

Molecular formula
C5H4N2O2
Molar mass
124.10 g/mol
Exact mass
124.0273 Da
logP
0.99Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1122-61-8
SMILES
C1=CN=CC=C1[N+](=O)[O-]
InChIKey
FEXIEMAAKBNTFK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H

Weigh it out

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

Work with 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

4-(4-Nitrobenzyl)pyridine1083-48-368 % similar 1,4-Dinitrobenzene100-25-467 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-158 % similar Nitrobenzene98-95-358 % similar 4-Nitrobenzenethiol1849-36-158 % similar 4-Fluoronitrobenzene350-46-958 % similar 1,3,5-Trinitrobenzene99-35-452 % similar 4-Nitrochlorobenzene100-00-552 % similar

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

Same formula

4-Pyrimidinecarboxylic acid31462-59-6 5-Pyrimidinecarboxylic acid4595-61-3 4-Pyridazinecarboxylic acid50681-25-9 Pyrazinoic acid98-97-5

Elsewhere

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