chempirical

3-Chloro-2-nitropyridine

C5H3ClN2O2CAS 54231-32-2158.54 g/mol

Open in Covalent MOL file
NN+OO−Cl
Aryl halideNitro

Properties

Molecular formula
C5H3ClN2O2
Molar mass
158.54 g/mol
Exact mass
157.9883 Da
logP
1.64Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54231-32-2
SMILES
C1=CC(=C(N=C1)[N+](=O)[O-])Cl
InChIKey
PSGASDJUCYTRAD-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H

Weigh it out

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Work with 3-Chloro-2-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-Bromo-2-nitropyridine54231-33-361 % similar 2-Nitro-3-pyridinamine13269-19-759 % similar 3-Hydroxy-2-nitropyridine15128-08-259 % similar 3-Hydroxy-2-nitropyridine15128-82-259 % similar 3-Methyl-2-nitropyridine18368-73-559 % similar 3-Fluoro-2-nitropyridine54231-35-559 % similar 2-Chloro-3-nitropyridine5470-18-859 % similar 3,5-Dichloro-2-nitropyridine610278-88-157 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2

Elsewhere

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