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

C18H13FN2S — CID 3021441

IUPAC4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESN#CC1C(=S)NC(c2ccccc2)=CC1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2S/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/h1-10,15-16H,(H,21,22)
InChIKeyBXAZKSYAXYGTLH-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.02
Rot. Bonds2

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

4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile (PubChem CID 3021441) has the molecular formula C18H13FN2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
PubChem CID3021441
Molecular FormulaC18H13FN2S
Molecular Weight308.38 g/mol
Exact Mass308.08
IUPAC Name4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESN#CC1C(=S)NC(c2ccccc2)=CC1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2S/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/h1-10,15-16H,(H,21,22)
InChIKeyBXAZKSYAXYGTLH-UHFFFAOYSA-N
XLogP4.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_cyano_A(1)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile (CID 3021441) is 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile is N#CC1C(=S)NC(c2ccccc2)=CC1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile?
The InChIKey is BXAZKSYAXYGTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2S/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/h1-10,15-16H,(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 4.02, 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-3,4-dihydro-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 3021441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).