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

C11H14ClFN2O4 — CID 166975460

IUPAC5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1OCC(Nc2ncc(Cl)cc2F)C(O)C1O
InChIInChI=1S/C11H14ClFN2O4/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)
InChIKeyYAXHWIFLHKXCSN-UHFFFAOYSA-N
MW292.69 g/mol
LogP-0.23
Rot. Bonds3

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

5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166975460) has the molecular formula C11H14ClFN2O4 and a molecular weight of 292.69 g/mol. Its IUPAC name is 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166975460
Molecular FormulaC11H14ClFN2O4
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1OCC(Nc2ncc(Cl)cc2F)C(O)C1O
InChIInChI=1S/C11H14ClFN2O4/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)
InChIKeyYAXHWIFLHKXCSN-UHFFFAOYSA-N
XLogP-0.23
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 166975460) is 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is OCC1OCC(Nc2ncc(Cl)cc2F)C(O)C1O.
What is the InChIKey of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is YAXHWIFLHKXCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O4/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).
What are the key properties of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 292.69 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166975460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).