5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile

C18H12N2S — CID 3746730

IUPAC5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Sc1ccccc1
InChIInChI=1S/C18H12N2S/c19-12-15-11-16(14-7-3-1-4-8-14)13-20-18(15)21-17-9-5-2-6-10-17/h1-11,13H
InChIKeyWUJVDBYAKSCQDJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP4.77
Rot. Bonds3

About 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile

5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile (PubChem CID 3746730) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
PubChem CID3746730
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Sc1ccccc1
InChIInChI=1S/C18H12N2S/c19-12-15-11-16(14-7-3-1-4-8-14)13-20-18(15)21-17-9-5-2-6-10-17/h1-11,13H
InChIKeyWUJVDBYAKSCQDJ-UHFFFAOYSA-N
XLogP4.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-2-phenylsulfanylpyridine-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

Related Compounds

2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
2-[(3-Methylphenyl)sulfanyl]-6-phenylnicotinonitrile
CID 2765222
4-[(4-Cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
CID 14231174
1-(Phenylthio)isoquinoline
CID 616883
2-(Pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 648350
6-Ethyl-5-methyl-2-[(pyridin-3-ylmethyl)sulfanyl]nicotinonitrile
CID 660204
2-[(2-Pyridinylthio)methyl]benzonitrile
CID 892312
6-Ethylsulfanyl-[2,3']bipyridinyl-5-carbonitrile
CID 912276
2-[(3-Fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 931521
6-Methyl-5-phenyl-2-(phenylthio)-3-pyridinecarbonitrile
CID 1476369
5-(4-Chlorophenyl)-2-(phenylsulfanyl)nicotinonitrile
CID 1479153
2-(Cyanomethylsulfanyl)-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 1982375

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile (CID 3746730) is 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)cnc1Sc1ccccc1.
What is the InChIKey of 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
The InChIKey is WUJVDBYAKSCQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c19-12-15-11-16(14-7-3-1-4-8-14)13-20-18(15)21-17-9-5-2-6-10-17/h1-11,13H.
What are the key properties of 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 3746730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).