5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C16H12Cl2N2O3 — CID 19115090

IUPAC5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O
InChIInChI=1S/C16H12Cl2N2O3/c1-3-20-15(22)11(7-19)8(2)13(16(20)23)14(21)10-5-4-9(17)6-12(10)18/h4-6,23H,3H2,1-2H3
InChIKeyBCKAOSAPRVHNMC-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.29
Rot. Bonds3

About 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115090) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115090
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O
InChIInChI=1S/C16H12Cl2N2O3/c1-3-20-15(22)11(7-19)8(2)13(16(20)23)14(21)10-5-4-9(17)6-12(10)18/h4-6,23H,3H2,1-2H3
InChIKeyBCKAOSAPRVHNMC-UHFFFAOYSA-N
XLogP3.29
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115090) is 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)c2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BCKAOSAPRVHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-3-20-15(22)11(7-19)8(2)13(16(20)23)14(21)10-5-4-9(17)6-12(10)18/h4-6,23H,3H2,1-2H3.
What are the key properties of 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 351.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).