ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate

C10H10ClF3N2O2 — CID 2774334

IUPACethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-2-18-8(17)5-16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyOYEGHBUYBPRZRE-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.73
Rot. Bonds4

About ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate

ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate (PubChem CID 2774334) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate
PubChem CID2774334
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Nameethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-2-18-8(17)5-16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyOYEGHBUYBPRZRE-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2433052
Methyl 4-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolidinecarboxylate
CID 2775333
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
Ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 4024930
1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-(methylamino)ethan-1-one hydrochloride
CID 16195952
N-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pivalamide
CID 885766
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 2333297
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] propanoate
CID 2100853
Ethyl 2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinylidene}acetate
CID 1477077
Ethyl 3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}-3-iminopropanoate
CID 16195216
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2560818
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid
CID 3429073

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate (CID 2774334) is ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate is CCOC(=O)CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The InChIKey is OYEGHBUYBPRZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-2-18-8(17)5-16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate?
ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate has a molecular weight of 282.65 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 2774334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).