chempirical

2,3-Difluoropyridine-4-carboxylic acid

C6H3F2NO2CAS 851386-31-7159.09 g/mol

Open in Covalent MOL file
NOOHFF
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
851386-31-7
SMILES
C1=CN=C(C(=C1C(=O)O)F)F
InChIKey
FFGHMEKFPCGYEG-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)

Weigh it out

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Work with 2,3-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

2-Chloro-3-fluoropyridine-4-carboxylic acid628691-93-066 % similar 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-462 % similar 2-Fluoronicotinic acid393-55-562 % similar 2,3,4-Trifluorobenzoic acid61079-72-951 % similar 2,3-Difluoro-4-hydroxybenzoic acid175968-39-550 % similar 2,3-Difluorobenzoic acid4519-39-550 % similar 4-Chloro-2,3-difluorobenzoic acid150444-94-349 % similar 3-Chloro-2-fluorobenzoic acid161957-55-749 % 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 3,5-Difluoropyridine-4-carboxylic acid903522-29-2

Elsewhere

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