3-(Trifluoromethyl)pyridine-2-carboxaldehyde

C7H4F3NOCAS 131747-62-1175.11 g/mol

Open in Covalent MOL file
ONFFF
AldehydeAlkyl halide

Properties

Molecular formula
C7H4F3NO
Molar mass
175.11 g/mol
Exact mass
175.0245 Da
logP
1.91Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
131747-62-1
SMILES
O=Cc1ncccc1C(F)(F)F
InChIKey
FIIIEUQXYKDPRD-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H

Weigh it out

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

Names and synonyms

5 names
  • 2-Pyridinecarboxaldehyde, 3-(trifluoromethyl)-
  • 3-(Trifluoromethyl)-2-pyridinecarboxaldehyde
  • 2-Formyl-3-trifluoromethylpyridine
  • 3-(Trifluoromethyl)picolinaldehyde
  • 3-Trifluoromethyl-2-formylpyridine

Work with 3-(Trifluoromethyl)pyridine-2-carboxaldehyde

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-Fluoro-3-(trifluoromethyl)pyridine65753-52-856 % similar 3-Fluoro-2-pyridinecarboxaldehyde31224-43-855 % similar 2,3-Bis(trifluoromethyl)pyridine1644-68-453 % similar 3-Bromo-2-pyridinecarboxaldehyde405174-97-252 % similar 2-(Trifluoromethyl)benzaldehyde447-61-052 % similar 2-Bromo-3-(trifluoromethyl)pyridine175205-82-050 % similar 2-Amino-3-(trifluoromethyl)pyridine183610-70-050 % similar 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trifluorobenzamide207919-09-3 2,3,6-Trifluorobenzamide207986-22-9 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-5 2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-8 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-7 3,4,5-Trifluorobenzamide78324-75-1 2,4,6-Trifluorobenzamide82019-50-9 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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