4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C18H11FN2S — CID 5259312

IUPAC4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C18H11FN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKeyYFHYIQHJEVCCFM-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.09
Rot. Bonds2

About 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 5259312) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID5259312
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C18H11FN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKeyYFHYIQHJEVCCFM-UHFFFAOYSA-N
XLogP5.09
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 5259312) is 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is YFHYIQHJEVCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 5259312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).