3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile

C8H8N2O2 — CID 175987537

IUPAC3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile
SMILESCCOc1c(C#N)[nH]ccc1=O
InChIInChI=1S/C8H8N2O2/c1-2-12-8-6(5-9)10-4-3-7(8)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyGPHMTHFMORODEK-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.65
Rot. Bonds2

About 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile

3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 175987537) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID175987537
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile
SMILESCCOc1c(C#N)[nH]ccc1=O
InChIInChI=1S/C8H8N2O2/c1-2-12-8-6(5-9)10-4-3-7(8)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyGPHMTHFMORODEK-UHFFFAOYSA-N
XLogP0.65
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile (CID 175987537) is 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile is CCOc1c(C#N)[nH]ccc1=O.
What is the InChIKey of 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is GPHMTHFMORODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-12-8-6(5-9)10-4-3-7(8)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile?
3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 175987537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).