3-Chloro-5-nitro-2(1H)-pyridinone

C₅H₃ClN₂O₃CAS 22353-38-4174.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₅H₃ClN₂O₃
Molar mass: 174.54 g/mol
Exact mass: 173.9832 Da
Melting point: 165–167 °C
logP: 1.35Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22353-38-4

SMILES

O=[N+]([O-])c1cnc(O)c(Cl)c1

InChIKey

GTOXJMNILNYXLE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

2(1H)-Pyridinone, 3-chloro-5-nitro-
2-Pyridinol, 3-chloro-5-nitro-
3-Chloro-2-hydroxy-5-nitropyridine
3-Chloro-5-nitro-2-hydroxypyridine
NSC 349953
3-Chloro-5-nitro-2-pyridinol
3-Chloro-5-nitropyridin-2-ol
2-Hydroxy-3-chloro-5-nitropyridine
3-Chloro-5-nitro-1H-pyridin-2-one
3-Chloro-5-nitro-1,2-dihydropyridin-2-one

Work with 3-Chloro-5-nitro-2(1H)-pyridinone

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 3,5-Dinitro-2(1H)-pyridinone2980-33-866 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-662 % similar 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-862 % similar 2,6-Dichloro-4-nitrophenol618-80-457 % similar 2-Chloro-5-nitropyrimidine10320-42-053 % similar 2-Chloro-3,5-dinitropyridine2578-45-253 % similar Nitrofungin619-08-953 % 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 5-Chloro-2-hydroxy-3-nitropyridine21427-61-2 3-Chloro-4-nitropyridine N-oxide76439-45-7

Elsewhere

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