2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol

C8H9F3N2O2 — CID 106748346

IUPAC2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol
SMILESNc1cnc(C(F)(F)F)cc1OCCO
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)7-3-6(15-2-1-14)5(12)4-13-7/h3-4,14H,1-2,12H2
InChIKeyNIMMVXIFJUXXRZ-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.05
Rot. Bonds3

About 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol

2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol (PubChem CID 106748346) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol
PubChem CID106748346
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol
SMILESNc1cnc(C(F)(F)F)cc1OCCO
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)7-3-6(15-2-1-14)5(12)4-13-7/h3-4,14H,1-2,12H2
InChIKeyNIMMVXIFJUXXRZ-UHFFFAOYSA-N
XLogP1.05
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol (CID 106748346) is 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol is Nc1cnc(C(F)(F)F)cc1OCCO.
What is the InChIKey of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol?
The InChIKey is NIMMVXIFJUXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)7-3-6(15-2-1-14)5(12)4-13-7/h3-4,14H,1-2,12H2.
What are the key properties of 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol?
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol has a molecular weight of 222.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 106748346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).