2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile

C16H10N2OS — CID 19656803

IUPAC2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccsc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C16H10N2OS/c17-9-14-13(12-6-7-20-10-12)8-15(18-16(14)19)11-4-2-1-3-5-11/h1-8,10H,(H,18,19)
InChIKeyZVBMKEPTSZOQON-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.64
Rot. Bonds2

About 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile

2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile (PubChem CID 19656803) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
PubChem CID19656803
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccsc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C16H10N2OS/c17-9-14-13(12-6-7-20-10-12)8-15(18-16(14)19)11-4-2-1-3-5-11/h1-8,10H,(H,18,19)
InChIKeyZVBMKEPTSZOQON-UHFFFAOYSA-N
XLogP3.64
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile (CID 19656803) is 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccsc2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile?
The InChIKey is ZVBMKEPTSZOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c17-9-14-13(12-6-7-20-10-12)8-15(18-16(14)19)11-4-2-1-3-5-11/h1-8,10H,(H,18,19).
What are the key properties of 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).