3-Fluoro-2-pyridinecarboxaldehyde

C₆H₄FNOCAS 31224-43-8125.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₄FNO
Molar mass: 125.10 g/mol
Exact mass: 125.0277 Da
logP: 1.03Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 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

31224-43-8

SMILES

C1=CC(=C(N=C1)C=O)F

InChIKey

OZIMPUNGBUYCSP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H

Weigh it out

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

Names and synonyms

1 names

3-Fluoro-2-formylpyridine

Work with 3-Fluoro-2-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

3-Bromo-2-pyridinecarboxaldehyde405174-97-257 % similar 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-455 % similar 3-Methyl-2-pyridinecarboxaldehyde55589-47-455 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-155 % similar 2,3-Difluoropyridine1513-66-248 % similar 2,6-Difluorobenzaldehyde437-81-048 % similar 3-Nitropyridine-2-carbaldehyde10261-94-647 % similar 6-Bromo-3-fluoro-2-pyridinecarboxaldehyde885267-36-747 % similar

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

Same formula

6-Fluoropyridine-2-carboxaldehyde208110-81-0 2-Fluoro-3-pyridinecarboxaldehyde36404-90-7 5-Fluoronicotinaldehyde39891-04-8 3-Fluoroisonicotinaldehyde40273-47-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook