chempirical

3,5-Difluoropyridine-4-carboxylic acid

C6H3F2NO2CAS 903522-29-2159.09 g/mol

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NFOOHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3F2NO2
Molar mass
159.09 g/mol
Exact mass
159.0132 Da
logP
1.06Crippen 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
903522-29-2
SMILES
C1=C(C(=C(C=N1)F)C(=O)O)F
InChIKey
DRWDDFVJHGAJTN-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

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Names and synonyms

1 names
  • 3,5-Difluoroisonicotinic acid

Work with 3,5-Difluoropyridine-4-carboxylic 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

3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid31381-91-661 % similar 2,6-Difluorobenzoic acid385-00-261 % similar 3,6-Difluorophthalic acid651-97-859 % similar 2,4,6-Trifluorobenzoic acid28314-80-959 % similar 2,6-Difluoro-4-hydroxybenzoic acid214917-68-757 % similar 3-Fluoropyridine-4-carboxylic acid393-53-356 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-155 % similar 3,5-Dichloroisonicotinic acid13958-93-553 % similar

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

Same formula

1,3-Difluoro-2-nitrobenzene19064-24-5 1,3-Difluoro-5-nitrobenzene2265-94-3 2,5-Difluoronitrobenzene364-74-9 3,4-Difluoronitrobenzene369-34-6 2,4-Difluoronitrobenzene446-35-5 1,2-Difluoro-3-nitrobenzene6921-22-8 3,5-Difluoropyridine-2-carboxylic acid745784-04-7 2,3-Difluoropyridine-4-carboxylic acid851386-31-7

Elsewhere

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