3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine

C13H11NO2 — CID 25180306

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine
SMILESc1cncc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C13H11NO2/c1-2-11(9-14-5-1)10-3-4-12-13(8-10)16-7-6-15-12/h1-5,8-9H,6-7H2
InChIKeyWBKBSDQNOSGKCC-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.52
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine (PubChem CID 25180306) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine
PubChem CID25180306
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine
SMILESc1cncc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C13H11NO2/c1-2-11(9-14-5-1)10-3-4-12-13(8-10)16-7-6-15-12/h1-5,8-9H,6-7H2
InChIKeyWBKBSDQNOSGKCC-UHFFFAOYSA-N
XLogP2.52
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine (CID 25180306) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine is c1cncc(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine?
The InChIKey is WBKBSDQNOSGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-11(9-14-5-1)10-3-4-12-13(8-10)16-7-6-15-12/h1-5,8-9H,6-7H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine has a molecular weight of 213.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine is sourced from PubChem (CID 25180306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).