1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile

C14H12N2OS — CID 1476674

IUPAC1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCSc1cc(-c2ccccc2)n(C)c(=O)c1C#N
InChIInChI=1S/C14H12N2OS/c1-16-12(10-6-4-3-5-7-10)8-13(18-2)11(9-15)14(16)17/h3-8H,1-2H3
InChIKeyZGRPVZJTZYFHHY-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.65
Rot. Bonds2

About 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile

1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile (PubChem CID 1476674) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
PubChem CID1476674
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCSc1cc(-c2ccccc2)n(C)c(=O)c1C#N
InChIInChI=1S/C14H12N2OS/c1-16-12(10-6-4-3-5-7-10)8-13(18-2)11(9-15)14(16)17/h3-8H,1-2H3
InChIKeyZGRPVZJTZYFHHY-UHFFFAOYSA-N
XLogP2.65
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile (CID 1476674) is 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile is CSc1cc(-c2ccccc2)n(C)c(=O)c1C#N.
What is the InChIKey of 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The InChIKey is ZGRPVZJTZYFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16-12(10-6-4-3-5-7-10)8-13(18-2)11(9-15)14(16)17/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile?
1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1476674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).