2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine

C17H13NO4S2 — CID 139180902

IUPAC2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESc1cc(-c2scc3c2OCCO3)nc(-c2scc3c2OCCO3)c1
InChIInChI=1S/C17H13NO4S2/c1-2-10(16-14-12(8-23-16)19-4-6-21-14)18-11(3-1)17-15-13(9-24-17)20-5-7-22-15/h1-3,8-9H,4-7H2
InChIKeyZURMPWWCMCEITF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.08
Rot. Bonds2

About 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine

2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (PubChem CID 139180902) has the molecular formula C17H13NO4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
PubChem CID139180902
Molecular FormulaC17H13NO4S2
Molecular Weight359.43 g/mol
Exact Mass359.03
IUPAC Name2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESc1cc(-c2scc3c2OCCO3)nc(-c2scc3c2OCCO3)c1
InChIInChI=1S/C17H13NO4S2/c1-2-10(16-14-12(8-23-16)19-4-6-21-14)18-11(3-1)17-15-13(9-24-17)20-5-7-22-15/h1-3,8-9H,4-7H2
InChIKeyZURMPWWCMCEITF-UHFFFAOYSA-N
XLogP4.08
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The IUPAC name of 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (CID 139180902) is 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.
What is the SMILES notation for 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The canonical SMILES for 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is c1cc(-c2scc3c2OCCO3)nc(-c2scc3c2OCCO3)c1.
What is the InChIKey of 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The InChIKey is ZURMPWWCMCEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S2/c1-2-10(16-14-12(8-23-16)19-4-6-21-14)18-11(3-1)17-15-13(9-24-17)20-5-7-22-15/h1-3,8-9H,4-7H2.
What are the key properties of 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine has a molecular weight of 359.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is sourced from PubChem (CID 139180902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).