ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate

C10H11F3N2O2 — CID 133098143

IUPACethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)ccnc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-2-17-8(16)5-6-7(14)3-4-15-9(6)10(11,12)13/h3-4H,2,5H2,1H3,(H2,14,15)
InChIKeyZHSYHLIMMJXSQD-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.79
Rot. Bonds3

About ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate

ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133098143) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133098143
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)ccnc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-2-17-8(16)5-6-7(14)3-4-15-9(6)10(11,12)13/h3-4H,2,5H2,1H3,(H2,14,15)
InChIKeyZHSYHLIMMJXSQD-UHFFFAOYSA-N
XLogP1.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029498
ethyl 2-[3-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097243
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098329
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate
CID 58278401
ethyl 2-[2-iodo-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133096536
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-[5-bromo-4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676313
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate (CID 133098143) is ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1c(N)ccnc1C(F)(F)F.
What is the InChIKey of ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is ZHSYHLIMMJXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-17-8(16)5-6-7(14)3-4-15-9(6)10(11,12)13/h3-4H,2,5H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 248.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133098143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).