chempirical

6-Chloro-3-fluoropyridine-2-carboxylic acid

C6H3ClFNO2CAS 884494-76-2175.54 g/mol

Open in Covalent MOL file
NFOOHCl
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
884494-76-2
SMILES
C1=CC(=NC(=C1F)C(=O)O)Cl
InChIKey
YGDRQLYJJGEHCC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,(H,10,11)

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Names and synonyms

1 names
  • 6-Chloro-3-fluoro-pyridine-2-carboxylic acid

Work with 6-Chloro-3-fluoropyridine-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

Clopyralid1702-17-665 % similar 3-Amino-6-chloropyridine-2-carboxylic acid866807-27-461 % similar 6-Chloro-5-fluoro-pyridine-2-carboxylic acid860296-24-853 % similar 3-Fluoropyridine-2-carboxylic acid152126-31-351 % similar 2,6-Dichloronicotinic acid38496-18-351 % similar 6-Chloropicolinic acid4684-94-050 % similar 3-Chloro-2,6-difluorobenzoic acid225104-76-749 % similar 2-Chloro-3,6-difluorobenzoic acid287172-74-149 % 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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