2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate

C₉H₈ClNO₄CAS 5371-70-0229.62 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈ClNO₄
Molar mass: 229.62 g/mol
Exact mass: 229.0142 Da
logP: 1.31Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 0 / 5
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

5371-70-0

SMILES

COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl

InChIKey

NFXKYKHKNUFOKB-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3

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Names and synonyms

1 names

Dimethyl 4-chloropyridine-2,6-dicarboxylate

Work with 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate

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

Dimethyl 5-chloroisophthalate20330-90-967 % similar 3,5-Dichlorobenzoic acid methyl ester2905-67-167 % similar Methyl 4-chloropicolinate24484-93-365 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-863 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-663 % similar Methyl 4-chloro-2-pyridinecarboxylate hydrochloride176977-85-859 % similar Methyl 2,6-dichloroisonicotinate42521-09-558 % similar Methyl 6-chloropicolinate6636-55-154 % similar

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

Same formula

Ethyl 4-chloro-3-nitrobenzoate16588-16-2 Ethyl 2-chloro-5-nitrobenzoate16588-17-3 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-2

Elsewhere

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