(3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol

C10H13FN2O — CID 104956297

IUPAC(3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c11-9-3-8(4-12-5-9)6-13-2-1-10(14)7-13/h3-5,10,14H,1-2,6-7H2/t10-/m0/s1
InChIKeyXPZHZCDDENLNOH-JTQLQIEISA-N
MW196.22 g/mol
LogP0.79
Rot. Bonds2

About (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol

(3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 104956297) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID104956297
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name(3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c11-9-3-8(4-12-5-9)6-13-2-1-10(14)7-13/h3-5,10,14H,1-2,6-7H2/t10-/m0/s1
InChIKeyXPZHZCDDENLNOH-JTQLQIEISA-N
XLogP0.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol (CID 104956297) is (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2cncc(F)c2)C1.
What is the InChIKey of (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is XPZHZCDDENLNOH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-3-8(4-12-5-9)6-13-2-1-10(14)7-13/h3-5,10,14H,1-2,6-7H2/t10-/m0/s1.
What are the key properties of (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol has a molecular weight of 196.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 104956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).