5-Chloro-2-hydroxy-3-nitropyridine

C₅H₃ClN₂O₃CAS 21427-61-2174.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃ClN₂O₃
Molar mass: 174.54 g/mol
Exact mass: 173.9832 Da
logP: 0.94Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 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

21427-61-2

SMILES

C1=C(C(=O)NC=C1Cl)[N+](=O)[O-]

InChIKey

QVGQNICXNZMXQA-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)

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Work with 5-Chloro-2-hydroxy-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

2-Hydroxy-5-methyl-3-nitropyridine7464-14-461 % similar 6-Hydroxy-5-nitropyridine-3-carboxylic acid6635-31-054 % similar 4-Chloro-1,2-dinitrobenzene610-40-251 % similar 4-Chloro-2-nitrophenol89-64-550 % similar 1,4-Dichloro-2-nitrobenzene89-61-249 % similar DNQX2379-57-947 % similar 5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol10331-57-446 % similar 2,5-Dichloro-3-nitropyridine21427-62-346 % similar

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

Same formula

2-Chloro-4-nitropyridine N-oxide14432-16-7 4-Chloro-2-hydroxy-3-nitropyridine165547-79-5 3-Chloro-5-nitro-2(1H)-pyridinone22353-38-4 3-Chloro-4-nitropyridine N-oxide76439-45-7

Elsewhere

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