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

C8H8N2O2 — CID 71384554

IUPAC1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile
SMILESCCn1ccc(O)c(C#N)c1=O
InChIInChI=1S/C8H8N2O2/c1-2-10-4-3-7(11)6(5-9)8(10)12/h3-4,11H,2H2,1H3
InChIKeyIVFURMFQMWXAPJ-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.45
Rot. Bonds1

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

1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile (PubChem CID 71384554) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile
PubChem CID71384554
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile
SMILESCCn1ccc(O)c(C#N)c1=O
InChIInChI=1S/C8H8N2O2/c1-2-10-4-3-7(11)6(5-9)8(10)12/h3-4,11H,2H2,1H3
InChIKeyIVFURMFQMWXAPJ-UHFFFAOYSA-N
XLogP0.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile (CID 71384554) is 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile is CCn1ccc(O)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
The InChIKey is IVFURMFQMWXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-10-4-3-7(11)6(5-9)8(10)12/h3-4,11H,2H2,1H3.
What are the key properties of 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile?
1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 71384554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).