4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H15ClN2O2 — CID 25190447

IUPAC4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1ccc(O)c(-c2cc(-c3cccc(Cl)c3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C20H15ClN2O2/c1-2-12-6-7-19(24)16(8-12)18-10-15(17(11-22)20(25)23-18)13-4-3-5-14(21)9-13/h3-10,24H,2H2,1H3,(H,23,25)
InChIKeyMVKIENHABBALPY-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.50
Rot. Bonds3

About 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 25190447) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID25190447
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1ccc(O)c(-c2cc(-c3cccc(Cl)c3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C20H15ClN2O2/c1-2-12-6-7-19(24)16(8-12)18-10-15(17(11-22)20(25)23-18)13-4-3-5-14(21)9-13/h3-10,24H,2H2,1H3,(H,23,25)
InChIKeyMVKIENHABBALPY-UHFFFAOYSA-N
XLogP4.50
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 25190447) is 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is CCc1ccc(O)c(-c2cc(-c3cccc(Cl)c3)c(C#N)c(=O)[nH]2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MVKIENHABBALPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c1-2-12-6-7-19(24)16(8-12)18-10-15(17(11-22)20(25)23-18)13-4-3-5-14(21)9-13/h3-10,24H,2H2,1H3,(H,23,25).
What are the key properties of 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 350.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(5-ethyl-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 25190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).