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

C9H11F3N2O — CID 2991563

IUPAC2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCN(CCO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-14(4-5-15)8-3-2-7(6-13-8)9(10,11)12/h2-3,6,15H,4-5H2,1H3
InChIKeyMWPUTBJVTVIBBV-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.53
Rot. Bonds3

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

2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 2991563) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID2991563
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCN(CCO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-14(4-5-15)8-3-2-7(6-13-8)9(10,11)12/h2-3,6,15H,4-5H2,1H3
InChIKeyMWPUTBJVTVIBBV-UHFFFAOYSA-N
XLogP1.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 2991563) is 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is CN(CCO)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is MWPUTBJVTVIBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-14(4-5-15)8-3-2-7(6-13-8)9(10,11)12/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 220.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 2991563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).