1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

C9H11F3N2O — CID 2985764

IUPAC1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-6(15)4-13-8-3-2-7(5-14-8)9(10,11)12/h2-3,5-6,15H,4H2,1H3,(H,13,14)
InChIKeyLYSNLUBEQDZKHC-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.89
Rot. Bonds3

About 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 2985764) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID2985764
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-6(15)4-13-8-3-2-7(5-14-8)9(10,11)12/h2-3,5-6,15H,4H2,1H3,(H,13,14)
InChIKeyLYSNLUBEQDZKHC-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (CID 2985764) is 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is CC(O)CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is LYSNLUBEQDZKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(15)4-13-8-3-2-7(5-14-8)9(10,11)12/h2-3,5-6,15H,4H2,1H3,(H,13,14).
What are the key properties of 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 2985764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).