4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C13H12N2O2S — CID 2854588

IUPAC4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1
InChIInChI=1S/C13H12N2O2S/c1-18-13-11(7-14)10(6-12(17)15-13)8-2-4-9(16)5-3-8/h2-5,10,16H,6H2,1H3,(H,15,17)
InChIKeyWIGOMWGYVUEZHC-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.09
Rot. Bonds2

About 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2854588) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2854588
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1
InChIInChI=1S/C13H12N2O2S/c1-18-13-11(7-14)10(6-12(17)15-13)8-2-4-9(16)5-3-8/h2-5,10,16H,6H2,1H3,(H,15,17)
InChIKeyWIGOMWGYVUEZHC-UHFFFAOYSA-N
XLogP2.09
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2854588) is 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1.
What is the InChIKey of 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is WIGOMWGYVUEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-13-11(7-14)10(6-12(17)15-13)8-2-4-9(16)5-3-8/h2-5,10,16H,6H2,1H3,(H,15,17).
What are the key properties of 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 260.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2854588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).