3,5-Difluoropyridine-2-carboxylic acid

C₆H₃F₂NO₂CAS 745784-04-7159.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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 2-Chloro-5-fluoronicotinic acid38186-88-853 % similar 2-Bromo-5-fluoro-3-pyridinecarboxylic 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 3,5-Difluoro-2-methylbenzoic acid1003710-06-246 % 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

Elsewhere

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