2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C10H6N2OS — CID 825326

IUPAC2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C10H6N2OS/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChIKeyJTXFPILITXFNSM-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.98
Rot. Bonds1

About 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 825326) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID825326
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C10H6N2OS/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChIKeyJTXFPILITXFNSM-UHFFFAOYSA-N
XLogP1.98
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 825326) is 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is JTXFPILITXFNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13).
What are the key properties of 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 202.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 825326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).