2-(1,4-benzodioxin-3-yl)pyridine

C13H9NO2 — CID 2311805

IUPAC2-(1,4-benzodioxin-3-yl)pyridine
SMILESC1=C(c2ccccn2)Oc2ccccc2O1
InChIInChI=1S/C13H9NO2/c1-2-7-12-11(6-1)15-9-13(16-12)10-5-3-4-8-14-10/h1-9H
InChIKeyXXRUHEXRKOFHFM-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.85
Rot. Bonds1

About 2-(1,4-benzodioxin-3-yl)pyridine

2-(1,4-benzodioxin-3-yl)pyridine (PubChem CID 2311805) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1,4-benzodioxin-3-yl)pyridine.

Molecular Properties

Compound Name2-(1,4-benzodioxin-3-yl)pyridine
PubChem CID2311805
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2-(1,4-benzodioxin-3-yl)pyridine
SMILESC1=C(c2ccccn2)Oc2ccccc2O1
InChIInChI=1S/C13H9NO2/c1-2-7-12-11(6-1)15-9-13(16-12)10-5-3-4-8-14-10/h1-9H
InChIKeyXXRUHEXRKOFHFM-UHFFFAOYSA-N
XLogP2.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-benzodioxin-3-yl)pyridine?
The IUPAC name of 2-(1,4-benzodioxin-3-yl)pyridine (CID 2311805) is 2-(1,4-benzodioxin-3-yl)pyridine.
What is the SMILES notation for 2-(1,4-benzodioxin-3-yl)pyridine?
The canonical SMILES for 2-(1,4-benzodioxin-3-yl)pyridine is C1=C(c2ccccn2)Oc2ccccc2O1.
What is the InChIKey of 2-(1,4-benzodioxin-3-yl)pyridine?
The InChIKey is XXRUHEXRKOFHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-2-7-12-11(6-1)15-9-13(16-12)10-5-3-4-8-14-10/h1-9H.
What are the key properties of 2-(1,4-benzodioxin-3-yl)pyridine?
2-(1,4-benzodioxin-3-yl)pyridine has a molecular weight of 211.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-benzodioxin-3-yl)pyridine is sourced from PubChem (CID 2311805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).