chempirical

2-Chloro-3-fluoropyridine-4-carboxylic acid

C6H3ClFNO2CAS 628691-93-0175.54 g/mol

Open in Covalent MOL file
NOOHFCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3ClFNO2
Molar mass
175.54 g/mol
Exact mass
174.9836 Da
logP
1.57Crippen 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
628691-93-0
SMILES
C1=CN=C(C(=C1C(=O)O)F)Cl
InChIKey
NWNWBLRKHOVSEL-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)

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Names and synonyms

1 names
  • 2-Chloro-3-fluoroisonicotinic acid

Work with 2-Chloro-3-fluoropyridine-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

2,3-Dichloropyridine-4-carboxylic acid184416-84-066 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-766 % similar 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-459 % similar 2-Chloronicotinic acid2942-59-858 % similar 4-Chloro-2,3-difluorobenzoic acid150444-94-354 % similar 3-Chloro-2-fluorobenzoic acid161957-55-754 % similar 2,4-Dichloronicotinic acid262423-77-853 % similar 2,3-Difluorobenzoic acid4519-39-551 % similar

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

Same formula

1-Chloro-2-fluoro-3-nitrobenzene2106-49-2 2-Chloro-4-fluoro-1-nitrobenzene2106-50-5 2-Chloro-1-fluoro-3-nitrobenzene21397-07-9 1-Chloro-4-fluoro-2-nitrobenzene345-17-5 4-Chloro-1-fluoro-2-nitrobenzene345-18-6 3-Chloro-4-fluoronitrobenzene350-30-1 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-6

Elsewhere

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