chempirical

5-Fluoronicotinaldehyde

C6H4FNOCAS 39891-04-8125.10 g/mol

Open in Covalent MOL file
ONF
AldehydeAryl halide

Properties

Molecular formula
C6H4FNO
Molar mass
125.10 g/mol
Exact mass
125.0277 Da
Boiling point
71–76 °C (at 10 Torr)
logP
1.03Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
39891-04-8
SMILES
O=Cc1cncc(F)c1
InChIKey
FEPXZFGQVDIXMZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO/c7-6-1-5(4-9)2-8-3-6/h1-4H

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridinecarboxaldehyde, 5-fluoro-
  • 5-Fluoro-3-pyridinecarboxaldehyde
  • 3-Fluoro-5-formylpyridine
  • 3-Fluoropyridine-5-carboxaldehyde

Work with 5-Fluoronicotinaldehyde

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

3,5-Difluorobenzaldehyde32085-88-458 % similar 5-Bromo-3-pyridinecarboxaldehyde113118-81-353 % similar 3-Fluorobenzaldehyde456-48-452 % similar Pyrimidine-5-carboxaldehyde10070-92-548 % similar 3-Fluoro-5-methylbenzaldehyde189628-39-547 % similar 4-Fluorobenzaldehyde459-57-446 % similar 3,4,5-Trifluorobenzaldehyde132123-54-743 % similar 3-Fluoro-5-iodopyridine757950-13-343 % similar

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

Same formula

2-Fluoro-3-pyridinecarboxaldehyde36404-90-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook