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

C16H12N2O2S — CID 90703678

IUPAC2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine
SMILESc1ccc(-c2sc(-c3ccccn3)c3c2OCCO3)nc1
InChIInChI=1S/C16H12N2O2S/c1-3-7-17-11(5-1)15-13-14(20-10-9-19-13)16(21-15)12-6-2-4-8-18-12/h1-8H,9-10H2
InChIKeyKXUHOHCEAXGGTN-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.64
Rot. Bonds2

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

2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine (PubChem CID 90703678) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine
PubChem CID90703678
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine
SMILESc1ccc(-c2sc(-c3ccccn3)c3c2OCCO3)nc1
InChIInChI=1S/C16H12N2O2S/c1-3-7-17-11(5-1)15-13-14(20-10-9-19-13)16(21-15)12-6-2-4-8-18-12/h1-8H,9-10H2
InChIKeyKXUHOHCEAXGGTN-UHFFFAOYSA-N
XLogP3.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-Methoxyphenoxy)thieno[3,2-b]pyridine
CID 73354060
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1H-pyrrole
CID 17865566
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole
CID 58381824
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(4-fluorophenyl)pyrrole
CID 58381822
5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole
CID 58381820
2-(2,4-Difluorophenyl)-4-(7-octyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 56642312
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-[4-(trifluoromethyl)phenyl]pyrrole
CID 58381818
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrrole
CID 152905987
5-[[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-[5-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]pyridine
CID 5246969
2-(2-Thiophen-2-yloxyethyl)pyridine
CID 25105369
4-[2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-pyridinyl]pyridine
CID 90701975

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine?
The IUPAC name of 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine (CID 90703678) is 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine.
What is the SMILES notation for 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine?
The canonical SMILES for 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine is c1ccc(-c2sc(-c3ccccn3)c3c2OCCO3)nc1.
What is the InChIKey of 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine?
The InChIKey is KXUHOHCEAXGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-3-7-17-11(5-1)15-13-14(20-10-9-19-13)16(21-15)12-6-2-4-8-18-12/h1-8H,9-10H2.
What are the key properties of 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine?
2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine has a molecular weight of 296.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine is sourced from PubChem (CID 90703678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).