4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

C13H10N2OS — CID 1471774

IUPAC4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCSc1cc(-c2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16)
InChIKeyLMJDNUBVFKYAGS-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.64
Rot. Bonds2

About 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 1471774) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID1471774
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCSc1cc(-c2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16)
InChIKeyLMJDNUBVFKYAGS-UHFFFAOYSA-N
XLogP2.64
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 1471774) is 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is CSc1cc(-c2ccccc2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is LMJDNUBVFKYAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16).
What are the key properties of 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1471774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).