4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol

C11H15NO3 — CID 10750905

IUPAC4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol
SMILESOCc1ccnc(C2(O)CCOCC2)c1
InChIInChI=1S/C11H15NO3/c13-8-9-1-4-12-10(7-9)11(14)2-5-15-6-3-11/h1,4,7,13-14H,2-3,5-6,8H2
InChIKeyBAYGFXFVPGPGJM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.57
Rot. Bonds2

About 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol

4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol (PubChem CID 10750905) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol
PubChem CID10750905
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol
SMILESOCc1ccnc(C2(O)CCOCC2)c1
InChIInChI=1S/C11H15NO3/c13-8-9-1-4-12-10(7-9)11(14)2-5-15-6-3-11/h1,4,7,13-14H,2-3,5-6,8H2
InChIKeyBAYGFXFVPGPGJM-UHFFFAOYSA-N
XLogP0.57
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol?
The IUPAC name of 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol (CID 10750905) is 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol?
The canonical SMILES for 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol is OCc1ccnc(C2(O)CCOCC2)c1.
What is the InChIKey of 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol?
The InChIKey is BAYGFXFVPGPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-9-1-4-12-10(7-9)11(14)2-5-15-6-3-11/h1,4,7,13-14H,2-3,5-6,8H2.
What are the key properties of 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol?
4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol has a molecular weight of 209.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol is sourced from PubChem (CID 10750905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).