chempirical

4-Fluoropyridine

C5H4FNCAS 694-52-097.09 g/mol

Open in Covalent MOL file
NF
Aryl halide

Properties

Molecular formula
C5H4FN
Molar mass
97.09 g/mol
Exact mass
97.0328 Da
logP
1.22Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

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
694-52-0
SMILES
C1=CN=CC=C1F
InChIKey
TTYVECQWCUJXCS-UHFFFAOYSA-N
InChI
InChI=1S/C5H4FN/c6-5-1-3-7-4-2-5/h1-4H

Weigh it out

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

Work with 4-Fluoropyridine

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-Fluoropyridine hydrochloride39160-31-1Salt

Similar compounds

1,4-Difluorobenzene540-36-353 % similar Fluorobenzene462-06-647 % similar 4,4′-Bipyridine553-26-447 % similar 4-Fluorobenzenethiol371-42-645 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-744 % similar 4,4′-Difluorobiphenyl398-23-244 % similar 2,4-Difluoropyridine34941-90-743 % similar 2-(4-Fluorophenyl)pyridine58861-53-342 % similar

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

Same formula

3-Fluoropyridine372-47-4 2-Fluoropyridine372-48-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook