2-Chloro-3-fluoro-5-nitropyridine

C₅H₂ClFN₂O₂CAS 1079179-12-6176.53 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₂ClFN₂O₂
Molar mass: 176.53 g/mol
Exact mass: 175.9789 Da
logP: 1.78Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1079179-12-6

SMILES

C1=C(C=NC(=C1F)Cl)[N+](=O)[O-]

InChIKey

SHXURKRHCSAERA-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClFN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H

Weigh it out

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

Work with 2-Chloro-3-fluoro-5-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

2,3-Dichloro-5-nitropyridine22353-40-866 % similar 2-Chloro-3,5-dinitropyridine2578-45-266 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-462 % similar 3-Bromo-2-chloro-5-nitropyridine5470-17-762 % similar 2-Chloro-5-nitropyrimidine10320-42-053 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-253 % similar 3,4,5-Trifluoronitrobenzene66684-58-051 % similar 1-Chloro-2,3-difluoro-5-nitrobenzene53780-44-251 % similar

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

Same formula

2-Chloro-5-fluoro-3-nitropyridine136888-21-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook