(3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol

C10H13FN2O2 — CID 104956329

IUPAC(3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1O
InChIInChI=1S/C10H13FN2O2/c11-8-1-7(2-12-3-8)4-13-5-9(14)10(15)6-13/h1-3,9-10,14-15H,4-6H2/t9-,10+
InChIKeyPJIXIMSSJPSBDW-AOOOYVTPSA-N
MW212.22 g/mol
LogP-0.24
Rot. Bonds2

About (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol (PubChem CID 104956329) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
PubChem CID104956329
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name(3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1O
InChIInChI=1S/C10H13FN2O2/c11-8-1-7(2-12-3-8)4-13-5-9(14)10(15)6-13/h1-3,9-10,14-15H,4-6H2/t9-,10+
InChIKeyPJIXIMSSJPSBDW-AOOOYVTPSA-N
XLogP-0.24
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol (CID 104956329) is (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is PJIXIMSSJPSBDW-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-8-1-7(2-12-3-8)4-13-5-9(14)10(15)6-13/h1-3,9-10,14-15H,4-6H2/t9-,10+.
What are the key properties of (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 212.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 104956329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).