chempirical

4-(4-Nitrobenzyl)pyridine

C12H10N2O2CAS 1083-48-3214.22 g/mol

Open in Covalent MOL file
ON+O−N
Nitro

Properties

Molecular formula
C12H10N2O2
Molar mass
214.22 g/mol
Exact mass
214.0742 Da
Melting point
70–72 °C
logP
2.58Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1083-48-3
SMILES
O=[N+]([O-])c1ccc(Cc2ccncc2)cc1
InChIKey
MNHKUCBXXMFQDM-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2

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Names and synonyms

8 names
  • Pyridine, 4-[(4-nitrophenyl)methyl]-
  • Pyridine, 4-(p-nitrobenzyl)-
  • 4-[(4-Nitrophenyl)methyl]pyridine
  • γ-(p-Nitrobenzyl)pyridine
  • 4-(p-Nitrobenzyl)pyridine
  • γ-(4-Nitrobenzyl)pyridine
  • 4-(4′-Nitrobenzyl)pyridine
  • NSC 83591

Work with 4-(4-Nitrobenzyl)pyridine

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-Nitropyridine1122-61-868 % similar 2-(4-Nitrophenyl)ethanol100-27-658 % similar 1,4-Dinitrobenzene100-25-456 % similar 4-Nitrobenzyl bromide100-11-855 % similar 1-Ethyl-4-nitrobenzene100-12-955 % similar 4-Nitrobenzyl chloride100-14-155 % similar 4-Nitrophenethyl bromide5339-26-453 % similar 1-(4-Nitrobenzyl)-1H-1,2,4-triazole119192-09-550 % similar

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

Same formula

4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-9 2-Nitrodiphenylamine119-75-5 2,2′-Dihydroxyazobenzene2050-14-8 4-Nitrodiphenylamine836-30-6

Elsewhere

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