4-Fluoropyridine hydrochloride

C₅H₅ClFNCAS 39160-31-1133.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅ClFN
Molar mass: 133.55 g/mol
Exact mass: 133.0095 Da
logP: 1.64Crippen estimate
Polar surface area: 12.9 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
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

39160-31-1

SMILES

C1=CN=CC=C1F.Cl

InChIKey

QRUIPALQRYLTAF-UHFFFAOYSA-N

InChI

InChI=1S/C5H4FN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H

Weigh it out

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

Work with 4-Fluoropyridine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Fluoropyridine694-52-0Free base

Similar compounds

4-Picolyl chloride hydrochloride1822-51-148 % similar 4-Bromopyridine hydrochloride19524-06-248 % similar 4-Chloropyridine hydrochloride7379-35-348 % similar 1,4-Difluorobenzene540-36-344 % similar 4-Hydrazinylpyridine hydrochloride20815-52-544 % similar 4-Ethynylpyridine hydrochloride352530-29-142 % similar (4-Fluorophenyl)hydrazine hydrochloride823-85-842 % similar 3-Fluoropyridine372-47-442 % similar

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

Elsewhere

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