2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile

C25H17BrN2S — CID 3125938

IUPAC2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCc1ccccc1
InChIInChI=1S/C25H17BrN2S/c26-21-13-11-20(12-14-21)24-15-22(19-9-5-2-6-10-19)23(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
InChIKeyHGGBSFJRIZCAAJ-UHFFFAOYSA-N
MW457.40 g/mol
LogP7.34
Rot. Bonds5

About 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile

2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile (PubChem CID 3125938) has the molecular formula C25H17BrN2S and a molecular weight of 457.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
PubChem CID3125938
Molecular FormulaC25H17BrN2S
Molecular Weight457.40 g/mol
Exact Mass456.03
IUPAC Name2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCc1ccccc1
InChIInChI=1S/C25H17BrN2S/c26-21-13-11-20(12-14-21)24-15-22(19-9-5-2-6-10-19)23(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
InChIKeyHGGBSFJRIZCAAJ-UHFFFAOYSA-N
XLogP7.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.40
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-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

6-(4-bromophenyl)-2-(methylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3326274
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
N-benzyl-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3901390
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-phenylpyridine-3-carbonitrile
CID 3613815
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3329563
2-(benzylsulfanylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3330687
6-(4-bromophenyl)-2-[2-[(S)-(4-chlorophenyl)methylsulfinyl]ethylsulfanyl]-4-phenylpyridine-3-carbonitrile
CID 92905894
2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
2-(2-benzylsulfinylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3317762
2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523
2-[(3-bromophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4623496

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile (CID 3125938) is 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile?
The InChIKey is HGGBSFJRIZCAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2S/c26-21-13-11-20(12-14-21)24-15-22(19-9-5-2-6-10-19)23(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2.
What are the key properties of 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile?
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile has a molecular weight of 457.40 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3125938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).