1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C10H11F3N2O — CID 62917315

IUPAC1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-2-1-3-9(14-8)15-5-4-7(16)6-15/h1-3,7,16H,4-6H2
InChIKeyYAKFZEMBYWPLON-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.67
Rot. Bonds1

About 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 62917315) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID62917315
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-2-1-3-9(14-8)15-5-4-7(16)6-15/h1-3,7,16H,4-6H2
InChIKeyYAKFZEMBYWPLON-UHFFFAOYSA-N
XLogP1.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 62917315) is 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is OC1CCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is YAKFZEMBYWPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)8-2-1-3-9(14-8)15-5-4-7(16)6-15/h1-3,7,16H,4-6H2.
What are the key properties of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 232.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 62917315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).