chempirical

3,5-Dichloro-2-pyridinecarboxylic acid

C6H3Cl2NO2CAS 81719-53-1192.00 g/mol

Open in Covalent MOL file
NClOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3Cl2NO2
Molar mass
192.00 g/mol
Exact mass
190.9541 Da
logP
2.09Crippen 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
81719-53-1
SMILES
C1=C(C=NC(=C1Cl)C(=O)O)Cl
InChIKey
JYKZCYLZWZCQFP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)

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Work with 3,5-Dichloro-2-pyridinecarboxylic 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

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid80194-68-961 % similar 3-Chloropyridine-2-carboxylic acid57266-69-057 % similar 2,5-Dichloropyridine-3-carboxylic acid59782-85-356 % similar 2,4,6-Trichlorobenzoic acid50-43-155 % similar Quinclorac84087-01-454 % similar 4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-453 % similar 5-Chloronicotinic acid22620-27-550 % similar 2,4-Dichlorobenzoic acid50-84-050 % similar

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

Same formula

3,5-Dichloroisonicotinic acid13958-93-5 Clopyralid1702-17-6 2,3-Dichloropyridine-4-carboxylic acid184416-84-0 2,4-Dichloronicotinic acid262423-77-8 2,3-Dichloronitrobenzene3209-22-1 2,6-Dichloronicotinic acid38496-18-3 5,6-Dichloronicotinic acid41667-95-2 2,6-Dichloroisonicotinic acid5398-44-7

Elsewhere

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