2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane

C9H12N2O3S — CID 139061923

IUPAC2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane
SMILESCS(C)=O.Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C7H6N2O2.C2H6OS/c1-4-2-6(10)9-7(11)5(4)3-8;1-4(2)3/h2H,1H3,(H2,9,10,11);1-2H3
InChIKeySCXSBGPDXPDXKV-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.26
Rot. Bonds

About 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane

2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane (PubChem CID 139061923) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane
PubChem CID139061923
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane
SMILESCS(C)=O.Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C7H6N2O2.C2H6OS/c1-4-2-6(10)9-7(11)5(4)3-8;1-4(2)3/h2H,1H3,(H2,9,10,11);1-2H3
InChIKeySCXSBGPDXPDXKV-UHFFFAOYSA-N
XLogP0.26
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane (CID 139061923) is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane is CS(C)=O.Cc1cc(=O)[nH]c(O)c1C#N.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane?
The InChIKey is SCXSBGPDXPDXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2.C2H6OS/c1-4-2-6(10)9-7(11)5(4)3-8;1-4(2)3/h2H,1H3,(H2,9,10,11);1-2H3.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane?
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane has a molecular weight of 228.27 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile;methylsulfinylmethane is sourced from PubChem (CID 139061923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).