2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C20H15FN2OS — CID 25249091

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(SCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H15FN2OS/c1-24-18-9-4-15(5-10-18)19-11-6-16(12-22)20(23-19)25-13-14-2-7-17(21)8-3-14/h2-11H,13H2,1H3
InChIKeyOOQOHELNHVZTBI-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.06
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 25249091) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID25249091
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(SCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H15FN2OS/c1-24-18-9-4-15(5-10-18)19-11-6-16(12-22)20(23-19)25-13-14-2-7-17(21)8-3-14/h2-11H,13H2,1H3
InChIKeyOOQOHELNHVZTBI-UHFFFAOYSA-N
XLogP5.06
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3329563
6-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 2765290
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 1004309
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
3-[(4-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 972683
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
CID 71296353
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 23744221
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyridine-3-carbonitrile
CID 1475700
(2,4-difluorophenyl) 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]sulfanyl]acetate
CID 125117785
2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23007482
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 25249091) is 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(SCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is OOQOHELNHVZTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c1-24-18-9-4-15(5-10-18)19-11-6-16(12-22)20(23-19)25-13-14-2-7-17(21)8-3-14/h2-11H,13H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 25249091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).