Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

C₈H₉ClN₂O₂CAS 188781-08-0200.62 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₉ClN₂O₂
Molar mass: 200.62 g/mol
Exact mass: 200.0353 Da
logP: 1.62Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% 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 irritation100% of notifiers

Aggregated from 2 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

188781-08-0

SMILES

CCOC(=O)C1=CN=C(N=C1C)Cl

InChIKey

XJNJPQSXRUJCIB-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3

Weigh it out

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

Work with Ethyl 2-chloro-4-methylpyrimidine-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-pyrimidinecarboxylate51940-64-872 % similar Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate7234-25-565 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-664 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-459 % similar Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-655 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-253 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-053 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester5909-24-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-3 2-Chlorophenoxyacetic acid hydrazide36304-40-2 4-Amidinobenzoic acid hydrochloride42823-72-3

Elsewhere

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