3-Fluoro-4-nitropyridine

C₅H₃FN₂O₂CAS 13505-01-6142.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃FN₂O₂
Molar mass: 142.09 g/mol
Exact mass: 142.0179 Da
Boiling point: 62–64 °C (at 5 Torr)
logP: 1.13Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

13505-01-6

SMILES

O=[N+]([O-])c1ccncc1F

InChIKey

DIFITFKCBAVEAX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3FN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 3-fluoro-4-nitro-

Work with 3-Fluoro-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

3-Methyl-4-nitropyridine1678-53-159 % similar 1-Fluoro-2-nitrobenzene1493-27-256 % similar 4-Chloro-3-nitropyridine13091-23-156 % similar 4-Methyl-3-nitropyridine5832-44-054 % similar 2,4-Difluoronitrobenzene446-35-551 % similar 4-Methoxy-3-nitropyridine31872-62-550 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-450 % similar 5-Nitroisoquinoline607-32-950 % similar

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

Same formula

2-Fluoro-5-nitropyridine456-24-6 3-Fluoro-2-nitropyridine54231-35-5

Elsewhere

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