4-Chloro-3-nitropyridine

C₅H₃ClN₂O₂CAS 13091-23-1158.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃ClN₂O₂
Molar mass: 158.54 g/mol
Exact mass: 157.9883 Da
Melting point: 45 °C
Boiling point: 95 °C (at 5 Torr)
logP: 1.64Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

13091-23-1

SMILES

O=[N+]([O-])c1cnccc1Cl

InChIKey

JOTRPRKONYTVBV-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H

Weigh it out

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Names and synonyms

2 names

Pyridine, 4-chloro-3-nitro-
3-Nitro-4-chloropyridine

Work with 4-Chloro-3-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-Methyl-3-nitropyridine5832-44-061 % similar 2-Nitrochlorobenzene88-73-358 % similar 3-Fluoro-4-nitropyridine13505-01-656 % similar 3-Methyl-4-nitropyridine1678-53-156 % similar 4-Methoxy-3-nitropyridine31872-62-556 % similar 5-Nitroisoquinoline607-32-956 % similar 1,4-Dichloro-2-nitrobenzene89-61-253 % similar 2,4-Dinitrochlorobenzene97-00-753 % similar

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

Same formula

5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloro-5-nitropyridine4548-45-2 6-Chloro-3-pyridazinecarboxylic acid5096-73-1 2-Chloro-3-nitropyridine5470-18-8

Elsewhere

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