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

C8H9F3N2O — CID 2986104

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(13-5-6)12-3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyOAKBSTWYSVHIJW-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.50
Rot. Bonds3

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

2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 2986104) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID2986104
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(13-5-6)12-3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKeyOAKBSTWYSVHIJW-UHFFFAOYSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 2986104) is 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is OCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is OAKBSTWYSVHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(13-5-6)12-3-4-14/h1-2,5,14H,3-4H2,(H,12,13).
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 206.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 2986104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).