3,5-Difluoropyridine-2-carboxylic acid

C6H3F2NO2CAS 745784-04-7159.09 g/mol

Open in Covalent MOL file
OHONFF
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

Warning
Irritant (GHS07)

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
745784-04-7
SMILES
O=C(O)c1ncc(F)cc1F
InChIKey
QKLXAJQKMIWFRC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 2-Pyridinecarboxylic acid, 3,5-difluoro-
  • 3,5-Difluoro-2-pyridinecarboxylic acid
  • 3,5-Difluoropicolinic acid

Work with 3,5-Difluoropyridine-2-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

5-Bromo-3-fluoropicolinic acid669066-91-566 % similar 2,4,6-Trifluorobenzoic acid28314-80-955 % similar 3-Fluoropyridine-2-carboxylic acid152126-31-353 % similar 2-Chloro-5-fluoronicotinic acid38186-88-853 % similar 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-953 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-550 % similar 2,4-Difluorobenzoic acid1583-58-050 % similar 5-Fluoronicotinic acid402-66-450 % 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 2,3-Difluoropyridine-4-carboxylic acid851386-31-7 3,5-Difluoropyridine-4-carboxylic acid903522-29-2

Elsewhere

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