chempirical

Methyl 2,6-dichloroisonicotinate

C7H5Cl2NO2CAS 42521-09-5206.02 g/mol

Open in Covalent MOL file
OOClNCl
Aryl halideEster

Properties

Molecular formula
C7H5Cl2NO2
Molar mass
206.02 g/mol
Exact mass
204.9697 Da
Melting point
83 °C
logP
2.17Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
42521-09-5
SMILES
COC(=O)c1cc(Cl)nc(Cl)c1
InChIKey
XSKGHSUHOYEBTK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 4-Pyridinecarboxylic acid, 2,6-dichloro-, methyl ester
  • Isonicotinic acid, 2,6-dichloro-, methyl ester
  • CGA 41397
  • Methyl 2,6-dichloro-4-pyridinecarboxylate
  • 2,6-Dichloroisonicotinic acid methyl ester
  • 2,6-Dichloropyridine-4-carboxylic acid methyl ester

Work with Methyl 2,6-dichloroisonicotinate

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

Methyl 6-chloropyridazine-4-carboxylate1093860-48-065 % similar Methyl 2-chloroisonicotinate58481-11-165 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-463 % similar Dimethyl isophthalate1459-93-455 % similar Methyl 3,5-dichloro-4-hydroxybenzoate3337-59-554 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-353 % similar Methyl 3,5-dibromobenzoate51329-15-853 % similar Dimethyl 5-bromoisophthalate51760-21-553 % 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 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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