2,4-Dichloronicotinic acid

C6H3Cl2NO2CAS 262423-77-8192.00 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

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
262423-77-8
SMILES
C1=CN=C(C(=C1Cl)C(=O)O)Cl
InChIKey
ZFGZNVSNOJPGDV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11)

Weigh it out

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Names and synonyms

1 names
  • 2,4-Dichloropyridine-3-carboxylic acid

Work with 2,4-Dichloronicotinic 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-Chloro-4-fluoropyridine-3-carboxylic acid929022-76-466 % similar 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-459 % similar 2,6-Dichlorobenzoic acid50-30-658 % similar 2,3,5-Trichloropyridine-4-carboxylic acid406676-18-454 % similar 3-Chloro-2-pyrazine-carboxylic acid27398-39-653 % similar 2,3,6-Trichlorobenzoic acid50-31-753 % similar 2-Chloronicotinic acid2942-59-853 % similar 2-Chloro-3-fluoropyridine-4-carboxylic acid628691-93-053 % 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 2,3-Dichloronitrobenzene3209-22-1 2,6-Dichloronicotinic acid38496-18-3 5,6-Dichloronicotinic acid41667-95-2 2,6-Dichloroisonicotinic acid5398-44-7 2,5-Dichloropyridine-3-carboxylic acid59782-85-3

Elsewhere

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