6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile

C20H16N2O2S — CID 697592

IUPAC6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)=O)n2)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-10-8-15(9-11-16)19-12-17(14-6-4-3-5-7-14)18(13-21)20(22-19)25(2)23/h3-12H,1-2H3
InChIKeyIPWIMNYYYMAPFC-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.03
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile

6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile (PubChem CID 697592) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile
PubChem CID697592
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)=O)n2)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-10-8-15(9-11-16)19-12-17(14-6-4-3-5-7-14)18(13-21)20(22-19)25(2)23/h3-12H,1-2H3
InChIKeyIPWIMNYYYMAPFC-UHFFFAOYSA-N
XLogP4.03
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile (CID 697592) is 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)=O)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is IPWIMNYYYMAPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-16-10-8-15(9-11-16)19-12-17(14-6-4-3-5-7-14)18(13-21)20(22-19)25(2)23/h3-12H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile has a molecular weight of 348.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 697592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).