2-Fluoro-3-pyridinecarboxaldehyde

C6H4FNOCAS 36404-90-7125.10 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
50 °C (at 3 Torr)
logP
1.03Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36404-90-7
SMILES
O=Cc1cccnc1F
InChIKey
OFBVGDCXXGXDKU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO/c7-6-5(4-9)2-1-3-8-6/h1-4H

Weigh it out

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

Names and synonyms

5 names
  • 3-Pyridinecarboxaldehyde, 2-fluoro-
  • 2-Fluoropyridine-3-carboxaldehyde
  • 2-Fluoro-3-formylpyridine
  • 2-Fluoronicotinaldehyde
  • 2-Fluoropyridine-3-carbaldehyde

Work with 2-Fluoro-3-pyridinecarboxaldehyde

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-(4-Fluorophenyl)nicotinaldehyde885950-17-456 % similar 2-Bromonicotinaldehyde128071-75-055 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-355 % similar 2-Methylpyridine-3-carbaldehyde60032-57-755 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-755 % similar 8-Quinolinecarboxaldehyde38707-70-953 % similar Quinoline-5-carboxaldehyde22934-41-452 % similar 2,6-Difluoronicotinaldehyde155601-65-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Fluoropyridine-2-carboxaldehyde208110-81-0 3-Fluoro-2-pyridinecarboxaldehyde31224-43-8 5-Fluoropyridine-3-carbaldehyde39891-04-8 3-Fluoroisonicotinaldehyde40273-47-0

Elsewhere

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