4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile

C9H10N2O2 — CID 19768156

IUPAC4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile
SMILESCCc1cc(=O)n(C)c(O)c1C#N
InChIInChI=1S/C9H10N2O2/c1-3-6-4-8(12)11(2)9(13)7(6)5-10/h4,13H,3H2,1-2H3
InChIKeyZVECQMXRGBMSOJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.52
Rot. Bonds1

About 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile

4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 19768156) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile
PubChem CID19768156
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile
SMILESCCc1cc(=O)n(C)c(O)c1C#N
InChIInChI=1S/C9H10N2O2/c1-3-6-4-8(12)11(2)9(13)7(6)5-10/h4,13H,3H2,1-2H3
InChIKeyZVECQMXRGBMSOJ-UHFFFAOYSA-N
XLogP0.52
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile (CID 19768156) is 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile is CCc1cc(=O)n(C)c(O)c1C#N.
What is the InChIKey of 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is ZVECQMXRGBMSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-6-4-8(12)11(2)9(13)7(6)5-10/h4,13H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile?
4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19768156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).