1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile

C14H20N2O2 — CID 67693947

IUPAC1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
SMILESCCCCC(CC)Cn1c(O)c(C#N)ccc1=O
InChIInChI=1S/C14H20N2O2/c1-3-5-6-11(4-2)10-16-13(17)8-7-12(9-15)14(16)18/h7-8,11,18H,3-6,10H2,1-2H3
InChIKeyIAJQHETYOUGTDS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.64
Rot. Bonds6

About 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile

1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile (PubChem CID 67693947) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
PubChem CID67693947
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
SMILESCCCCC(CC)Cn1c(O)c(C#N)ccc1=O
InChIInChI=1S/C14H20N2O2/c1-3-5-6-11(4-2)10-16-13(17)8-7-12(9-15)14(16)18/h7-8,11,18H,3-6,10H2,1-2H3
InChIKeyIAJQHETYOUGTDS-UHFFFAOYSA-N
XLogP2.64
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile (CID 67693947) is 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile is CCCCC(CC)Cn1c(O)c(C#N)ccc1=O.
What is the InChIKey of 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile?
The InChIKey is IAJQHETYOUGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-5-6-11(4-2)10-16-13(17)8-7-12(9-15)14(16)18/h7-8,11,18H,3-6,10H2,1-2H3.
What are the key properties of 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile?
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 67693947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).