5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C9H10N2O2 — CID 642674

IUPAC5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1c(O)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-10)9(13)11-8(6)12/h3H2,1-2H3,(H2,11,12,13)
InChIKeyPEIIEYSAKQLFMZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.82
Rot. Bonds1

About 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 642674) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID642674
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1c(O)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-10)9(13)11-8(6)12/h3H2,1-2H3,(H2,11,12,13)
InChIKeyPEIIEYSAKQLFMZ-UHFFFAOYSA-N
XLogP0.82
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 642674) is 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1c(O)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PEIIEYSAKQLFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-6-5(2)7(4-10)9(13)11-8(6)12/h3H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 642674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).