Methyl4,6-dichloronicotinate

C7H5Cl2NO2CAS 65973-52-6206.02 g/mol

Open in Covalent MOL file
OONClCl
Aryl halideEster

Properties

Molecular formula
C7H5Cl2NO2
Molar mass
206.02 g/mol
Exact mass
204.9697 Da
logP
2.17Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
65973-52-6
SMILES
COC(=O)C1=CN=C(C=C1Cl)Cl
InChIKey
JEJMDUMJSZTJTI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-3-10-6(9)2-5(4)8/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 4,6-dichloronicotinate

Work with Methyl4,6-dichloronicotinate

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

Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-667 % similar Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-264 % similar 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-956 % similar Methyl 5-chloropyrazine-2-carboxylate33332-25-155 % similar 4,6-Dichloronicotinic acid73027-79-955 % similar Methyl 2-chlorobenzoate610-96-854 % similar Methyl 2,4-dichlorobenzoate35112-28-854 % similar Methyl 6-chloropyrimidine-4-carboxylate6627-22-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 Chloramben133-90-4 2-Amino-4,5-dichlorobenzoic acid20776-61-8 4,6-Dichloroanthranilic acid20776-63-0 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5

Elsewhere

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