2,5-Dichloropyridine-3-carboxylic acid

C6H3Cl2NO2CAS 59782-85-3191.99 g/mol

Open in Covalent MOL file
NOHOClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3Cl2NO2
Molar mass
191.99 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

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
59782-85-3
SMILES
C1=C(C=NC(=C1C(=O)O)Cl)Cl
InChIKey
SXQSMLIMBNMUNB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2,5-Dichloronicotinic acid

Work with 2,5-Dichloropyridine-3-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

5-Bromo-2-chloronicotinic acid29241-65-466 % similar 2-Chloro-5-fluoronicotinic acid38186-88-866 % similar 2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-361 % similar 2-Chloro-5-nitronicotinic acid42959-38-657 % similar 3,5-Dichloro-2-pyridinecarboxylic acid81719-53-156 % similar 4-Chlorophthalic acid89-20-353 % similar 2-Chloronicotinic acid2942-59-853 % similar 3,6-Dichloropyridazine-4-carboxylic acid51149-08-753 % 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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