6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

C8H8N2O — CID 10487008

IUPAC6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C8H8N2O/c1-2-7-4-3-6(5-9)8(11)10-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyJXZCCQLLOFMMSL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.81
Rot. Bonds1

About 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10487008) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10487008
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C8H8N2O/c1-2-7-4-3-6(5-9)8(11)10-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyJXZCCQLLOFMMSL-UHFFFAOYSA-N
XLogP0.81
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 10487008) is 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JXZCCQLLOFMMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-7-4-3-6(5-9)8(11)10-7/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
6-ethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10487008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).