4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H15FN2O2 — CID 19656984

IUPAC4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1cc(-c2ccc(F)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C20H15FN2O2/c1-2-25-19-6-4-3-5-15(19)16-11-18(23-20(24)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H,23,24)
InChIKeyMJXNUQPWSZKONN-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.12
Rot. Bonds4

About 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656984) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656984
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1cc(-c2ccc(F)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C20H15FN2O2/c1-2-25-19-6-4-3-5-15(19)16-11-18(23-20(24)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H,23,24)
InChIKeyMJXNUQPWSZKONN-UHFFFAOYSA-N
XLogP4.12
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656984) is 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is CCOc1ccccc1-c1cc(-c2ccc(F)cc2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MJXNUQPWSZKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-2-25-19-6-4-3-5-15(19)16-11-18(23-20(24)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 334.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).