4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C16H8F2N2OS — CID 19657154

IUPAC4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(F)ccc2F)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C16H8F2N2OS/c17-9-3-4-13(18)11(6-9)10-7-14(15-2-1-5-22-15)20-16(21)12(10)8-19/h1-7H,(H,20,21)
InChIKeySPSNNNVGJNPXKZ-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.92
Rot. Bonds2

About 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 19657154) has the molecular formula C16H8F2N2OS and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID19657154
Molecular FormulaC16H8F2N2OS
Molecular Weight314.32 g/mol
Exact Mass314.03
IUPAC Name4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(F)ccc2F)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C16H8F2N2OS/c17-9-3-4-13(18)11(6-9)10-7-14(15-2-1-5-22-15)20-16(21)12(10)8-19/h1-7H,(H,20,21)
InChIKeySPSNNNVGJNPXKZ-UHFFFAOYSA-N
XLogP3.92
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 19657154) is 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cc(F)ccc2F)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is SPSNNNVGJNPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N2OS/c17-9-3-4-13(18)11(6-9)10-7-14(15-2-1-5-22-15)20-16(21)12(10)8-19/h1-7H,(H,20,21).
What are the key properties of 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 314.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19657154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).