chempirical

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

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

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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-(Trifluoromethyl)benzaldehyde447-61-052 % similar 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-450 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-150 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-247 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-046 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-546 % similar 3-Nitropyridine-2-carbaldehyde10261-94-644 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-742 % similar

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

Same formula

2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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