ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate

C10H11F3N2O2 — CID 133098329

IUPACethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)(F)F)c(N)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-17-8(16)4-6-3-7(14)9(15-5-6)10(11,12)13/h3,5H,2,4,14H2,1H3
InChIKeyZSVHOLLUINVQOT-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.79
Rot. Bonds3

About ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate

ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133098329) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133098329
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)(F)F)c(N)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-17-8(16)4-6-3-7(14)9(15-5-6)10(11,12)13/h3,5H,2,4,14H2,1H3
InChIKeyZSVHOLLUINVQOT-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-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096845
ethyl 2-[4-amino-2,5-bis(trifluoromethyl)phenyl]acetate
CID 134633207
ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098143
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
ethyl 2-[2-bromo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097912
ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
ethyl 2-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097921
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
CID 66789137
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322
ethyl 2-[4-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096696
ethyl 2-[2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate (CID 133098329) is ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(C(F)(F)F)c(N)c1.
What is the InChIKey of ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is ZSVHOLLUINVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-17-8(16)4-6-3-7(14)9(15-5-6)10(11,12)13/h3,5H,2,4,14H2,1H3.
What are the key properties of ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[5-amino-6-(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-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133098329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).