2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid

C11H10F3N3O2 — CID 79869540

IUPAC2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H10F3N3O2/c1-2-17(6-9(18)19)10-7(5-15)3-4-8(16-10)11(12,13)14/h3-4H,2,6H2,1H3,(H,18,19)
InChIKeyNNQJXWMQKXXCIE-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.88
Rot. Bonds4

About 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid

2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid (PubChem CID 79869540) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid
PubChem CID79869540
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H10F3N3O2/c1-2-17(6-9(18)19)10-7(5-15)3-4-8(16-10)11(12,13)14/h3-4H,2,6H2,1H3,(H,18,19)
InChIKeyNNQJXWMQKXXCIE-UHFFFAOYSA-N
XLogP1.88
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid (CID 79869540) is 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid is CCN(CC(=O)O)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid?
The InChIKey is NNQJXWMQKXXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-2-17(6-9(18)19)10-7(5-15)3-4-8(16-10)11(12,13)14/h3-4H,2,6H2,1H3,(H,18,19).
What are the key properties of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid?
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid has a molecular weight of 273.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid is sourced from PubChem (CID 79869540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).