chempirical

3-Fluoro-2-trifluoromethyl-isonicotinic acid

C7H3F4NO2CAS 886510-09-4209.10 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halideCarboxylic acid

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
logP
1.94Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 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
886510-09-4
SMILES
C1=CN=C(C(=C1C(=O)O)F)C(F)(F)F
InChIKey
GOYPFNAZTPCXGS-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-4-3(6(13)14)1-2-12-5(4)7(9,10)11/h1-2H,(H,13,14)

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Names and synonyms

1 names
  • 3-Fluoro-2-(trifluoromethyl)isonicotinic acid

Work with 3-Fluoro-2-trifluoromethyl-isonicotinic acid

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)nicotinic acid131747-43-863 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-762 % similar 2-Chloro-3-fluoropyridine-4-carboxylic acid628691-93-059 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-655 % similar 3-(Trifluoromethyl)isonicotinic acid590371-38-351 % similar 2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid241154-08-549 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-648 % similar 4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-848 % similar

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

Same formula

2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-0 4-Fluoro-3-nitrobenzotrifluoride367-86-2 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-9 2-Fluoro-5-nitrobenzotrifluoride400-74-8 3-Fluoro-4-nitrobenzotrifluoride402-12-0 2-Fluoro-3-nitrobenzotrifluoride61324-97-8 2-Fluoro-4-nitrobenzotrifluoride69411-67-2 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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