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

C11H14F2N2O4 — CID 166975282

IUPAC(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ncc(F)cc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14F2N2O4/c12-5-1-6(13)11(14-2-5)15-7-4-19-8(3-16)10(18)9(7)17/h1-2,7-10,16-18H,3-4H2,(H,14,15)/t7-,8+,9+,10-/m0/s1
InChIKeyJWMZYLFQIDLJCA-JLIMGVALSA-N
MW276.24 g/mol
LogP-0.75
Rot. Bonds3

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

(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166975282) has the molecular formula C11H14F2N2O4 and a molecular weight of 276.24 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166975282
Molecular FormulaC11H14F2N2O4
Molecular Weight276.24 g/mol
Exact Mass276.09
IUPAC Name(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ncc(F)cc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14F2N2O4/c12-5-1-6(13)11(14-2-5)15-7-4-19-8(3-16)10(18)9(7)17/h1-2,7-10,16-18H,3-4H2,(H,14,15)/t7-,8+,9+,10-/m0/s1
InChIKeyJWMZYLFQIDLJCA-JLIMGVALSA-N
XLogP-0.75
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 166975282) is (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2ncc(F)cc2F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is JWMZYLFQIDLJCA-JLIMGVALSA-N. The full InChI is InChI=1S/C11H14F2N2O4/c12-5-1-6(13)11(14-2-5)15-7-4-19-8(3-16)10(18)9(7)17/h1-2,7-10,16-18H,3-4H2,(H,14,15)/t7-,8+,9+,10-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 276.24 g/mol, XLogP of -0.75, 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-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166975282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).