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

C16H11BrN2O2S — CID 162640097

IUPAC2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESBrc1ccc(-c2ccc(-c3scc4c3OCCO4)cn2)nc1
InChIInChI=1S/C16H11BrN2O2S/c17-11-2-4-13(19-8-11)12-3-1-10(7-18-12)16-15-14(9-22-16)20-5-6-21-15/h1-4,7-9H,5-6H2
InChIKeyGXYBWTYVWKWBRB-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.41
Rot. Bonds2

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

2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (PubChem CID 162640097) has the molecular formula C16H11BrN2O2S and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
PubChem CID162640097
Molecular FormulaC16H11BrN2O2S
Molecular Weight375.25 g/mol
Exact Mass373.97
IUPAC Name2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESBrc1ccc(-c2ccc(-c3scc4c3OCCO4)cn2)nc1
InChIInChI=1S/C16H11BrN2O2S/c17-11-2-4-13(19-8-11)12-3-1-10(7-18-12)16-15-14(9-22-16)20-5-6-21-15/h1-4,7-9H,5-6H2
InChIKeyGXYBWTYVWKWBRB-UHFFFAOYSA-N
XLogP4.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine with MolForge

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Related Compounds

5,5'-Bis(3,4-(ethylenedioxy)thien-2-yl)2,2'-bipyridine
CID 18352143
2-(2,4-Difluorophenyl)-4-(7-octyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 56642312
4-[4-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 161065780
(Z)-1-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 164181453
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
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
5,7-Di-2-pyridyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 90703678
5-Methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
CID 134948007
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6-(7-pyridin-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
CID 139180904
2-[3,5-Bis(trifluoromethyl)phenyl]-4-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)pyridine
CID 132550686
1,1,1-Trifluoro-4-imino-4-[5-(7-octyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]but-2-en-2-amine
CID 145155796
1,1,1-Trifluoro-4-[4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-4-iminobut-2-en-2-amine
CID 153435290

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (CID 162640097) is 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is Brc1ccc(-c2ccc(-c3scc4c3OCCO4)cn2)nc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The InChIKey is GXYBWTYVWKWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2S/c17-11-2-4-13(19-8-11)12-3-1-10(7-18-12)16-15-14(9-22-16)20-5-6-21-15/h1-4,7-9H,5-6H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine has a molecular weight of 375.25 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is sourced from PubChem (CID 162640097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).