(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol

C11H15FN2O4 — CID 166975288

IUPAC(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2cccc(F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15FN2O4/c12-8-2-1-3-9(14-8)13-6-5-18-7(4-15)11(17)10(6)16/h1-3,6-7,10-11,15-17H,4-5H2,(H,13,14)/t6-,7+,10+,11-/m0/s1
InChIKeyPGHCETGCGRHAFW-HJGGDWJDSA-N
MW258.25 g/mol
LogP-0.89
Rot. Bonds3

About (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166975288) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166975288
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2cccc(F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15FN2O4/c12-8-2-1-3-9(14-8)13-6-5-18-7(4-15)11(17)10(6)16/h1-3,6-7,10-11,15-17H,4-5H2,(H,13,14)/t6-,7+,10+,11-/m0/s1
InChIKeyPGHCETGCGRHAFW-HJGGDWJDSA-N
XLogP-0.89
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 166975288) is (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2cccc(F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is PGHCETGCGRHAFW-HJGGDWJDSA-N. The full InChI is InChI=1S/C11H15FN2O4/c12-8-2-1-3-9(14-8)13-6-5-18-7(4-15)11(17)10(6)16/h1-3,6-7,10-11,15-17H,4-5H2,(H,13,14)/t6-,7+,10+,11-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 258.25 g/mol, XLogP of -0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166975288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).