5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile

C12H7FN2OS — CID 142749643

IUPAC5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(Sc2cccc(F)c2)c[nH]c1=O
InChIInChI=1S/C12H7FN2OS/c13-9-2-1-3-10(5-9)17-11-4-8(6-14)12(16)15-7-11/h1-5,7H,(H,15,16)
InChIKeyIFOVHZAADFMKHX-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.54
Rot. Bonds2

About 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile

5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 142749643) has the molecular formula C12H7FN2OS and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID142749643
Molecular FormulaC12H7FN2OS
Molecular Weight246.27 g/mol
Exact Mass246.03
IUPAC Name5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(Sc2cccc(F)c2)c[nH]c1=O
InChIInChI=1S/C12H7FN2OS/c13-9-2-1-3-10(5-9)17-11-4-8(6-14)12(16)15-7-11/h1-5,7H,(H,15,16)
InChIKeyIFOVHZAADFMKHX-UHFFFAOYSA-N
XLogP2.54
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile (CID 142749643) is 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(Sc2cccc(F)c2)c[nH]c1=O.
What is the InChIKey of 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IFOVHZAADFMKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS/c13-9-2-1-3-10(5-9)17-11-4-8(6-14)12(16)15-7-11/h1-5,7H,(H,15,16).
What are the key properties of 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 142749643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).