3-(oxan-4-yl)pyridine

C10H13NO — CID 21411763

IUPAC3-(oxan-4-yl)pyridine
SMILESc1cncc(C2CCOCC2)c1
InChIInChI=1S/C10H13NO/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h1-2,5,8-9H,3-4,6-7H2
InChIKeyFLGLIMZLJMSEOV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.98
Rot. Bonds1

About 3-(oxan-4-yl)pyridine

3-(oxan-4-yl)pyridine (PubChem CID 21411763) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name3-(oxan-4-yl)pyridine
PubChem CID21411763
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(oxan-4-yl)pyridine
SMILESc1cncc(C2CCOCC2)c1
InChIInChI=1S/C10H13NO/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h1-2,5,8-9H,3-4,6-7H2
InChIKeyFLGLIMZLJMSEOV-UHFFFAOYSA-N
XLogP1.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)pyridine?
The IUPAC name of 3-(oxan-4-yl)pyridine (CID 21411763) is 3-(oxan-4-yl)pyridine.
What is the SMILES notation for 3-(oxan-4-yl)pyridine?
The canonical SMILES for 3-(oxan-4-yl)pyridine is c1cncc(C2CCOCC2)c1.
What is the InChIKey of 3-(oxan-4-yl)pyridine?
The InChIKey is FLGLIMZLJMSEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 3-(oxan-4-yl)pyridine?
3-(oxan-4-yl)pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)pyridine is sourced from PubChem (CID 21411763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).