2-Chloro-pyrimidine-5-carboxylic acid ethyl ester

C₇H₇ClN₂O₂CAS 89793-12-4186.59 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.59 g/mol
Exact mass: 186.0196 Da
Melting point: 61 °C
logP: 1.31Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89793-12-4

SMILES

CCOC(=O)c1cnc(Cl)nc1

InChIKey

IEMKQRSOAOPKRJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
2-Chloro-5-(ethoxycarbonyl)pyrimidine
2-Chloropyrimidine-5-carboxylic acid ethyl ester
Ethyl 2-chloro-5-pyrimidinecarboxylate

Work with 2-Chloro-pyrimidine-5-carboxylic 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 6-chloronicotinate49608-01-767 % similar Ethyl 2-(methylthio)pyrimidine-5-carboxylate73781-88-164 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-563 % similar Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-962 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-361 % similar Methyl 2-chloropyrimidine-5-carboxylate287714-35-661 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-861 % similar Ethyl 6-methylnicotinate21684-59-359 % similar

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

Same formula

6-Chloro-4-nitro-o-toluidine13852-51-2 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-1 Methyl 3-amino-2-chloroisonicotinate173435-41-1 4-Chloro-2-methyl-6-nitroaniline62790-50-5 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5

Elsewhere

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