4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium

C14H12NOS2+ — CID 10872437

IUPAC4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium
SMILESCOc1cc[n+](-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H12NOS2/c1-16-11-6-8-15(9-7-11)14-5-4-13(18-14)12-3-2-10-17-12/h2-10H,1H3/q+1
InChIKeyWLADZFGLCDUSMW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.76
Rot. Bonds3

About 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium

4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium (PubChem CID 10872437) has the molecular formula C14H12NOS2+ and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium
PubChem CID10872437
Molecular FormulaC14H12NOS2+
Molecular Weight274.39 g/mol
Exact Mass274.04
IUPAC Name4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium
SMILESCOc1cc[n+](-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H12NOS2/c1-16-11-6-8-15(9-7-11)14-5-4-13(18-14)12-3-2-10-17-12/h2-10H,1H3/q+1
InChIKeyWLADZFGLCDUSMW-UHFFFAOYSA-N
XLogP3.76
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium?
The IUPAC name of 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium (CID 10872437) is 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium.
What is the SMILES notation for 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium?
The canonical SMILES for 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium is COc1cc[n+](-c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium?
The InChIKey is WLADZFGLCDUSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NOS2/c1-16-11-6-8-15(9-7-11)14-5-4-13(18-14)12-3-2-10-17-12/h2-10H,1H3/q+1.
What are the key properties of 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium?
4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium has a molecular weight of 274.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium is sourced from PubChem (CID 10872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).