3-Chloropyridine N-oxide

C₅H₄ClNOCAS 1851-22-5129.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄ClNO
Molar mass: 129.54 g/mol
Exact mass: 128.9981 Da
logP: 0.97Crippen estimate
Polar surface area: 26.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

1851-22-5

SMILES

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

InChIKey

NEXUNCTUUDERGR-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClNO/c6-5-2-1-3-7(8)4-5/h1-4H

Weigh it out

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Names and synonyms

1 names

Pyridine, 3-chloro-, 1-oxide

Work with 3-Chloropyridine N-oxide

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-Fluoropyridine N-oxide695-37-452 % similar 3-Methylpyridine N-oxide1003-73-250 % similar 3-Bromopyridine oxide2402-97-350 % similar 3-Hydroxypyridine N-oxide6602-28-450 % similar 3-Cyanopyridine 1-oxide14906-64-045 % similar Isoquinoline N-oxide1532-72-541 % similar Nicotinamide N-oxide1986-81-841 % similar Nicotinic acid N-oxide2398-81-441 % similar

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

Same formula

4-Chloropyridine N-oxide1121-76-2 3-Chloro-2-hydroxypyridine13466-35-8 6-Chloro-2(1H)-pyridinone16879-02-0 2-Chloro-4-pyridinol17368-12-6 2-Chloropyridine N-oxide2402-95-1 4-Chloro-2-hydroxypyridine40673-25-4 2-Chloro-5-hydroxypyridine41288-96-4 5-Chloro-2(1H)-pyridinone4214-79-3

Elsewhere

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