2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine

C12H11FN4O2CAS 33400-49-6262.24 g/mol

Open in Covalent MOL file
NH2NHNFN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C12H11FN4O2
Molar mass
262.24 g/mol
Exact mass
262.0866 Da
logP
1.75Crippen estimate
Polar surface area
97.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
33400-49-6
SMILES
Nc1[nH]c(=NCc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIKey
ZVCIIRBNNSUNCH-UHFFFAOYSA-N
InChI
InChI=1S/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16)

Weigh it out

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Names and synonyms

9 names
  • 2,6-Pyridinediamine, N6-[(4-fluorophenyl)methyl]-3-nitro-
  • Pyridine, 2-amino-6-[(p-fluorobenzyl)amino]-3-nitro-
  • N6-[(4-Fluorophenyl)methyl]-3-nitro-2,6-pyridinediamine
  • 2-Amino-6-(4-fluorobenzylamino)-3-nitropyridine
  • 2-Amino-3-nitro-6-(p-fluorobenzylamino)pyridine
  • N2-(4-Fluorobenzyl)-5-nitropyridine-2,6-diamine
  • 2,6-Pyridinediamine N6-[(4-fluorophenyl)methyl]-3-nitro-
  • 2-N-[(4-Fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
  • N6-((4-Fluorophenyl)methyl)-3-nitropyridine-2,6-diamine

Work with 2-Amino-3-nitro-6-(4-fluorobenzylamino)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

5-Fluoro-2-nitrobenzenamine2369-11-144 % similar Flupirtine maleate75507-68-543 % similar 4-Fluoro-1,2-dinitrobenzene364-53-442 % similar 4-Fluoro-2-nitroaniline364-78-342 % similar 2,4-Difluoronitrobenzene446-35-540 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-538 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-338 % similar 5-Fluoro-2-nitrophenol446-36-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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