chempirical

4-Chloro-2,6-pyridinedicarboxylic Acid

C7H4ClNO4CAS 4722-94-5201.56 g/mol

Open in Covalent MOL file
NOOHOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4ClNO4
Molar mass
201.56 g/mol
Exact mass
200.9829 Da
logP
1.13Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
4722-94-5
SMILES
C1=C(C=C(N=C1C(=O)O)C(=O)O)Cl
InChIKey
IYUMNONNHYADBU-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)

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Names and synonyms

1 names
  • 4-Chloro-pyridine-2,6-dicarboxylic acid

Work with 4-Chloro-2,6-pyridinedicarboxylic 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

4,6-Dichloro-2-pyridinecarboxylic acid88912-25-879 % similar 4-Chloropyridine-2-carboxylic acid5470-22-461 % similar Dipicolinic acid499-83-259 % similar 4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-059 % similar 3,5-Dichlorobenzoic acid51-36-557 % similar 2,4,6-Trichlorobenzoic acid50-43-153 % similar 5-Chloropyridine-2-carboxylic acid86873-60-153 % similar 6-Chloro-4-methylpyridine-2-carboxylic acid324028-95-753 % similar

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

Same formula

5-Chloro-2-nitrobenzoic acid2516-95-2 2-Chloro-5-nitrobenzoic acid2516-96-3 3-Chloro-4-nitrobenzoic acid39608-47-4 2-Chloro-3-nitrobenzoic acid3970-35-2 3-Chloro-2-nitrobenzoic acid4771-47-5 2-Chloro-6-nitrobenzoic acid5344-49-0 4-Chloro-2-nitrobenzoic acid6280-88-2 4-Nitrophenyl chloroformate7693-46-1

Elsewhere

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