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

C9H8ClNO4CAS 5371-70-0229.62 g/mol

Open in Covalent MOL file
OONOOCl
Aryl halideEster

Properties

Molecular formula
C9H8ClNO4
Molar mass
229.62 g/mol
Exact mass
229.0142 Da
logP
1.31Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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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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