(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol

C10H14N2O3 — CID 177365026

IUPAC(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol
SMILESOC[C@H]1N[C@@H](c2ccncc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H14N2O3/c13-5-7-9(14)10(15)8(12-7)6-1-3-11-4-2-6/h1-4,7-10,12-15H,5H2/t7-,8+,9-,10+/m1/s1
InChIKeyJTIACYMNYIRFGL-RGOKHQFPSA-N
MW210.23 g/mol
LogP-1.19
Rot. Bonds2

About (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol (PubChem CID 177365026) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol
PubChem CID177365026
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol
SMILESOC[C@H]1N[C@@H](c2ccncc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H14N2O3/c13-5-7-9(14)10(15)8(12-7)6-1-3-11-4-2-6/h1-4,7-10,12-15H,5H2/t7-,8+,9-,10+/m1/s1
InChIKeyJTIACYMNYIRFGL-RGOKHQFPSA-N
XLogP-1.19
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol (CID 177365026) is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol is OC[C@H]1N[C@@H](c2ccncc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol?
The InChIKey is JTIACYMNYIRFGL-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-5-7-9(14)10(15)8(12-7)6-1-3-11-4-2-6/h1-4,7-10,12-15H,5H2/t7-,8+,9-,10+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol?
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol has a molecular weight of 210.23 g/mol, XLogP of -1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol is sourced from PubChem (CID 177365026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).