2-Chloro-6-methoxyisonicotinoyl chloride

C7H5Cl2NO2CAS 116853-97-5206.02 g/mol

Open in Covalent MOL file
ONOClCl
Acyl halideAryl halideEther

Properties

Molecular formula
C7H5Cl2NO2
Molar mass
206.02 g/mol
Exact mass
204.9697 Da
logP
2.12Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
116853-97-5
SMILES
COC1=NC(=CC(=C1)C(=O)Cl)Cl
InChIKey
RITCMXVSFUDYGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO2/c1-12-6-3-4(7(9)11)2-5(8)10-6/h2-3H,1H3

Weigh it out

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Work with 2-Chloro-6-methoxyisonicotinoyl chloride

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-6-methoxypyridine-4-carboxylic acid15855-06-866 % similar 2,6-Dichloro-isonicotinoyl chloride42521-08-466 % similar 2-Chloro-6-methylpyridine-4-carbonyl chloride26413-58-159 % similar 3,5-Dimethoxybenzoyl chloride17213-57-953 % similar 3,4,5-Trimethoxybenzoyl chloride4521-61-350 % similar 4-Chloro-2,6-dimethoxypyrimidine6320-15-649 % similar 3-Methoxybenzoyl chloride1711-05-348 % similar 2-Chloropyridine-4-carbonyl chloride65287-34-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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