Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

C₉H₇ClF₃NO₂CAS 128073-16-5253.61 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₉H₇ClF₃NO₂
Molar mass: 253.61 g/mol
Exact mass: 253.0117 Da
logP: 2.93Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

128073-16-5

SMILES

CCOC(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl

InChIKey

COMQYNZHBCNPNW-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3

Weigh it out

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Names and synonyms

1 names

2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester

Work with Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-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

Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate655235-65-770 % similar 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid80194-68-957 % similar Ethyl 3,5-bis(trifluoromethyl)benzoate96617-71-953 % similar Ethyl 4,6-dichloropyridazine-3-carboxylate679406-03-253 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-052 % similar Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-951 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-651 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide175277-46-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-3 N-(4-Chloro-2-(trifluoromethoxy)phenyl)acetamide175278-36-1

Elsewhere

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