Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

C₈H₇F₃N₂O₂CAS 304693-64-9220.15 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₈H₇F₃N₂O₂
Molar mass: 220.15 g/mol
Exact mass: 220.0460 Da
logP: 1.67Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% 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

304693-64-9

SMILES

CCOC(=O)C1=CN=C(N=C1)C(F)(F)F

InChIKey

LRUCUGOOQHJEQP-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3

Weigh it out

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

Work with Ethyl 2-(trifluoromethyl)pyrimidine-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 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-068 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-462 % similar Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate720-01-461 % similar Ethyl 4-trifluoromethylbenzoate583-02-859 % similar Ethyl 3,5-bis(trifluoromethyl)benzoate96617-71-959 % similar Ethyl 2-(methylthio)pyrimidine-5-carboxylate73781-88-157 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-556 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Methoxy-4-(trifluoromethyl)pyridine-3-carboxamide175204-87-2 4-(Trifluoromethoxy)benzoic acid hydrazide175277-18-6 2-(Trifluoromethoxy)benzoic hydrazide175277-19-7 4-(Trifluoromethoxy)benzamidoxime56935-71-8

Elsewhere

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