chempirical

4,6-Dichloro-2-methyl-nicotinic acid ethyl ester

C9H9Cl2NO2CAS 686279-09-4234.08 g/mol

Open in Covalent MOL file
OONClCl
Aryl halideEster

Properties

Molecular formula
C9H9Cl2NO2
Molar mass
234.08 g/mol
Exact mass
233.0010 Da
logP
2.87Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
686279-09-4
SMILES
CCOC(=O)C1=C(N=C(C=C1Cl)Cl)C
InChIKey
LNIMLSAAPISOEC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)8-5(2)12-7(11)4-6(8)10/h4H,3H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 4,6-dichloro-2-methylnicotinate

Work with 4,6-Dichloro-2-methyl-nicotinic acid ethyl ester

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-dichloropyridazine-3-carboxylate679406-03-257 % similar Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-656 % similar Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate583878-42-651 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-049 % similar Ethyl 6-chloropicolinate21190-89-649 % similar Ethyl o-chlorobenzoate7335-25-348 % similar Ethyl 2,4-dimethylnicotinate37669-78-647 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dichloro-D-phenylalanine114872-98-9 3-Amino-3-(3,4-dichloro-phenyl)-propionic acid117391-57-8 3,4-Dichloro-D-phenylalanine52794-98-6 3,4-Dichloro-L-phenylalanine52794-99-7 Ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate86129-63-7

Elsewhere

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