ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate

C10H11F3N2O2 — CID 133098328

IUPACethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(N)nc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-17-9(16)5-6-3-7(10(11,12)13)15-8(14)4-6/h3-4H,2,5H2,1H3,(H2,14,15)
InChIKeySVPFKXSAETVTQG-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.79
Rot. Bonds3

About ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate

ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate (PubChem CID 133098328) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
PubChem CID133098328
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(N)nc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-17-9(16)5-6-3-7(10(11,12)13)15-8(14)4-6/h3-4H,2,5H2,1H3,(H2,14,15)
InChIKeySVPFKXSAETVTQG-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate (CID 133098328) is ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate is CCOC(=O)Cc1cc(N)nc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate?
The InChIKey is SVPFKXSAETVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-17-9(16)5-6-3-7(10(11,12)13)15-8(14)4-6/h3-4H,2,5H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate?
ethyl 2-[2-amino-6-(trifluoromethyl)-4-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-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 133098328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).