Methyl2,4-dichloropyrimidine-5-carboxylate

C₆H₄Cl₂N₂O₂CAS 3177-20-6207.01 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₄Cl₂N₂O₂
Molar mass: 207.01 g/mol
Exact mass: 205.9650 Da
logP: 1.57Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3177-20-6

SMILES

COC(=O)C1=CN=C(N=C1Cl)Cl

InChIKey

FNNAWVXVOHNOFF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3

Weigh it out

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

Names and synonyms

1 names

Methyl 2,4-dichloropyrimidine-5-carboxylate

Work with Methyl2,4-dichloropyrimidine-5-carboxylate

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 2,4-dichloro-5-pyrimidinecarboxylate51940-64-866 % similar Isopropanyl 2,4-dichloropyrimidine-5-carboxylate69312-43-266 % similar Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-27-663 % similar Methyl 2-chloropyrimidine-5-carboxylate287714-35-657 % similar 2,4-Dichloropyrimidine-5-carbonyl chloride2972-52-356 % similar Methyl 2-chloronicotinate40134-18-754 % similar Methyl 2,5,6-trichloropyrimidine-4-carboxylate89284-85-554 % similar Methyl 5-bromo-2-chloronicotinate78686-79-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-5 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-6 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-9 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-1 2,5-Dichloro-4-nitrobenzenamine6627-34-5

Elsewhere

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