3-pyridin-3-yloxetan-3-ol

C8H9NO2 — CID 75406900

IUPAC3-pyridin-3-yloxetan-3-ol
SMILESOC1(c2cccnc2)COC1
InChIInChI=1S/C8H9NO2/c10-8(5-11-6-8)7-2-1-3-9-4-7/h1-4,10H,5-6H2
InChIKeyLJGSGLSJYSOXNK-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.30
Rot. Bonds1

About 3-pyridin-3-yloxetan-3-ol

3-pyridin-3-yloxetan-3-ol (PubChem CID 75406900) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-pyridin-3-yloxetan-3-ol.

Molecular Properties

Compound Name3-pyridin-3-yloxetan-3-ol
PubChem CID75406900
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-pyridin-3-yloxetan-3-ol
SMILESOC1(c2cccnc2)COC1
InChIInChI=1S/C8H9NO2/c10-8(5-11-6-8)7-2-1-3-9-4-7/h1-4,10H,5-6H2
InChIKeyLJGSGLSJYSOXNK-UHFFFAOYSA-N
XLogP0.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yloxetan-3-ol?
The IUPAC name of 3-pyridin-3-yloxetan-3-ol (CID 75406900) is 3-pyridin-3-yloxetan-3-ol.
What is the SMILES notation for 3-pyridin-3-yloxetan-3-ol?
The canonical SMILES for 3-pyridin-3-yloxetan-3-ol is OC1(c2cccnc2)COC1.
What is the InChIKey of 3-pyridin-3-yloxetan-3-ol?
The InChIKey is LJGSGLSJYSOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8(5-11-6-8)7-2-1-3-9-4-7/h1-4,10H,5-6H2.
What are the key properties of 3-pyridin-3-yloxetan-3-ol?
3-pyridin-3-yloxetan-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yloxetan-3-ol is sourced from PubChem (CID 75406900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).