chempirical

6-(Trifluoromethyl)pyridine-3-carboxaldehyde

C7H4F3NOCAS 386704-12-7175.11 g/mol

Open in Covalent MOL file
NOFFF
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
386704-12-7
SMILES
C1=CC(=NC=C1C=O)C(F)(F)F
InChIKey
MRPAGRCGPAXOGS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H

Weigh it out

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Work with 6-(Trifluoromethyl)pyridine-3-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

2,2'-Bipyridyl-5,5'-dialdehyde135822-72-953 % similar 4-(Trifluoromethyl)benzaldehyde455-19-652 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 6-Oxo-1,6-dihydropyridine-3-carboxaldehyde106984-91-248 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-448 % similar 6-(Trifluoromethyl)-3-pyridinol216766-12-048 % similar 2-Chloropyridine-5-carbaldehyde23100-12-148 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-548 % similar

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

Same formula

3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-1 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 3,4,5-Trifluorobenzamide78324-75-1 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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