6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile

C14H12N2O2S — CID 118725936

IUPAC6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(SC)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C14H12N2O2S/c1-18-10-5-3-4-9(6-10)12-7-13(19-2)11(8-15)14(17)16-12/h3-7H,1-2H3,(H,16,17)
InChIKeyTUVARXJSYRADOF-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.64
Rot. Bonds3

About 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile

6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 118725936) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID118725936
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(SC)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C14H12N2O2S/c1-18-10-5-3-4-9(6-10)12-7-13(19-2)11(8-15)14(17)16-12/h3-7H,1-2H3,(H,16,17)
InChIKeyTUVARXJSYRADOF-UHFFFAOYSA-N
XLogP2.64
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile (CID 118725936) is 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile is COc1cccc(-c2cc(SC)c(C#N)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is TUVARXJSYRADOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-10-5-3-4-9(6-10)12-7-13(19-2)11(8-15)14(17)16-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118725936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).