5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

C15H10Cl2N2O2 — CID 15294785

IUPAC5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-2-13-11(5-8(7-18)15(21)19-13)14(20)10-4-3-9(16)6-12(10)17/h3-6H,2H2,1H3,(H,19,21)
InChIKeyULWCJXYWJKWHJB-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.35
Rot. Bonds3

About 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 15294785) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID15294785
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-2-13-11(5-8(7-18)15(21)19-13)14(20)10-4-3-9(16)6-12(10)17/h3-6H,2H2,1H3,(H,19,21)
InChIKeyULWCJXYWJKWHJB-UHFFFAOYSA-N
XLogP3.35
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 15294785) is 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ULWCJXYWJKWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-2-13-11(5-8(7-18)15(21)19-13)14(20)10-4-3-9(16)6-12(10)17/h3-6H,2H2,1H3,(H,19,21).
What are the key properties of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 321.16 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 15294785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).