1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid

C11H13F3N2O3 — CID 69173363

IUPAC1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCN(c2ccccn2)C1
InChIInChI=1S/C9H12N2O.C2HF3O2/c12-8-4-6-11(7-8)9-3-1-2-5-10-9;3-2(4,5)1(6)7/h1-3,5,8,12H,4,6-7H2;(H,6,7)
InChIKeyDIFNHTDVVJKJCJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.29
Rot. Bonds1

About 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid

1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 69173363) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID69173363
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCN(c2ccccn2)C1
InChIInChI=1S/C9H12N2O.C2HF3O2/c12-8-4-6-11(7-8)9-3-1-2-5-10-9;3-2(4,5)1(6)7/h1-3,5,8,12H,4,6-7H2;(H,6,7)
InChIKeyDIFNHTDVVJKJCJ-UHFFFAOYSA-N
XLogP1.29
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid (CID 69173363) is 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CCN(c2ccccn2)C1.
What is the InChIKey of 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is DIFNHTDVVJKJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2HF3O2/c12-8-4-6-11(7-8)9-3-1-2-5-10-9;3-2(4,5)1(6)7/h1-3,5,8,12H,4,6-7H2;(H,6,7).
What are the key properties of 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid?
1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 278.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69173363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).