2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine

C17H13NO4S2 — CID 66617178

IUPAC2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine
SMILESc1cc(-c2csc3c2OCCO3)ncc1-c1csc2c1OCCO2
InChIInChI=1S/C17H13NO4S2/c1-2-13(12-9-24-17-15(12)20-4-6-22-17)18-7-10(1)11-8-23-16-14(11)19-3-5-21-16/h1-2,7-9H,3-6H2
InChIKeyIZCPQXAOTITREZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.08
Rot. Bonds2

About 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine

2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine (PubChem CID 66617178) has the molecular formula C17H13NO4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine.

Molecular Properties

Compound Name2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine
PubChem CID66617178
Molecular FormulaC17H13NO4S2
Molecular Weight359.43 g/mol
Exact Mass359.03
IUPAC Name2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine
SMILESc1cc(-c2csc3c2OCCO3)ncc1-c1csc2c1OCCO2
InChIInChI=1S/C17H13NO4S2/c1-2-13(12-9-24-17-15(12)20-4-6-22-17)18-7-10(1)11-8-23-16-14(11)19-3-5-21-16/h1-2,7-9H,3-6H2
InChIKeyIZCPQXAOTITREZ-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 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine?
The IUPAC name of 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine (CID 66617178) is 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine.
What is the SMILES notation for 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine?
The canonical SMILES for 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine is c1cc(-c2csc3c2OCCO3)ncc1-c1csc2c1OCCO2.
What is the InChIKey of 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine?
The InChIKey is IZCPQXAOTITREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S2/c1-2-13(12-9-24-17-15(12)20-4-6-22-17)18-7-10(1)11-8-23-16-14(11)19-3-5-21-16/h1-2,7-9H,3-6H2.
What are the key properties of 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine?
2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-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 2,5-bis(2,3-dihydrothieno[2,3-b][1,4]dioxin-7-yl)pyridine is sourced from PubChem (CID 66617178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).