6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

C16H9FN2OS — CID 2817015

IUPAC6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C16H9FN2OS/c17-11-5-3-10(4-6-11)14-8-12(15-2-1-7-21-15)13(9-18)16(20)19-14/h1-8H,(H,19,20)
InChIKeyRVHGXNSHNZXNLF-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.78
Rot. Bonds2

About 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 2817015) has the molecular formula C16H9FN2OS and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID2817015
Molecular FormulaC16H9FN2OS
Molecular Weight296.33 g/mol
Exact Mass296.04
IUPAC Name6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C16H9FN2OS/c17-11-5-3-10(4-6-11)14-8-12(15-2-1-7-21-15)13(9-18)16(20)19-14/h1-8H,(H,19,20)
InChIKeyRVHGXNSHNZXNLF-UHFFFAOYSA-N
XLogP3.78
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2816326
CID 2816326
CID 698147
CID 698147
CID 825326
CID 825326
CID 2816445
CID 2816445
CID 878233
CID 878233
CID 2263811
CID 2263811
CID 6368251
CID 6368251
CID 921615
CID 921615
CID 11840848
CID 11840848
CID 767824
CID 767824
CID 2743463
CID 2743463
CID 137642256
CID 137642256

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 2817015) is 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is RVHGXNSHNZXNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2OS/c17-11-5-3-10(4-6-11)14-8-12(15-2-1-7-21-15)13(9-18)16(20)19-14/h1-8H,(H,19,20).
What are the key properties of 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2817015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).