2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile

C14H8N2OS2 — CID 2816326

IUPAC2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C14H8N2OS2/c15-8-10-9(12-3-1-5-18-12)7-11(16-14(10)17)13-4-2-6-19-13/h1-7H,(H,16,17)
InChIKeyPZUIIRHHOWQYKG-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.70
Rot. Bonds2

About 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile

2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 2816326) has the molecular formula C14H8N2OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID2816326
Molecular FormulaC14H8N2OS2
Molecular Weight284.37 g/mol
Exact Mass284.01
IUPAC Name2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C14H8N2OS2/c15-8-10-9(12-3-1-5-18-12)7-11(16-14(10)17)13-4-2-6-19-13/h1-7H,(H,16,17)
InChIKeyPZUIIRHHOWQYKG-UHFFFAOYSA-N
XLogP3.70
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile (CID 2816326) is 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is PZUIIRHHOWQYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2OS2/c15-8-10-9(12-3-1-5-18-12)7-11(16-14(10)17)13-4-2-6-19-13/h1-7H,(H,16,17).
What are the key properties of 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2816326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).