(3S)-1-pyridin-2-ylpyrrolidin-3-ol

C9H12N2O — CID 67266355

IUPAC(3S)-1-pyridin-2-ylpyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C9H12N2O/c12-8-4-6-11(7-8)9-3-1-2-5-10-9/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1
InChIKeyJAVUBKWZTRFGDS-QMMMGPOBSA-N
MW164.21 g/mol
LogP0.65
Rot. Bonds1

About (3S)-1-pyridin-2-ylpyrrolidin-3-ol

(3S)-1-pyridin-2-ylpyrrolidin-3-ol (PubChem CID 67266355) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3S)-1-pyridin-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-pyridin-2-ylpyrrolidin-3-ol
PubChem CID67266355
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3S)-1-pyridin-2-ylpyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C9H12N2O/c12-8-4-6-11(7-8)9-3-1-2-5-10-9/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1
InChIKeyJAVUBKWZTRFGDS-QMMMGPOBSA-N
XLogP0.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridin-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-pyridin-2-ylpyrrolidin-3-ol (CID 67266355) is (3S)-1-pyridin-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-pyridin-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-pyridin-2-ylpyrrolidin-3-ol is O[C@H]1CCN(c2ccccn2)C1.
What is the InChIKey of (3S)-1-pyridin-2-ylpyrrolidin-3-ol?
The InChIKey is JAVUBKWZTRFGDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c12-8-4-6-11(7-8)9-3-1-2-5-10-9/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1.
What are the key properties of (3S)-1-pyridin-2-ylpyrrolidin-3-ol?
(3S)-1-pyridin-2-ylpyrrolidin-3-ol has a molecular weight of 164.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyridin-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 67266355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).