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

C16H13ClN2O3 — CID 19115146

IUPAC5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2cccc(Cl)c2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H13ClN2O3/c1-3-19-15(21)12(8-18)9(2)13(16(19)22)14(20)10-5-4-6-11(17)7-10/h4-7,22H,3H2,1-2H3
InChIKeyZSYFGGNXRXTJLQ-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.64
Rot. Bonds3

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

5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115146) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115146
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2cccc(Cl)c2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H13ClN2O3/c1-3-19-15(21)12(8-18)9(2)13(16(19)22)14(20)10-5-4-6-11(17)7-10/h4-7,22H,3H2,1-2H3
InChIKeyZSYFGGNXRXTJLQ-UHFFFAOYSA-N
XLogP2.64
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115146) is 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)c2cccc(Cl)c2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ZSYFGGNXRXTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-3-19-15(21)12(8-18)9(2)13(16(19)22)14(20)10-5-4-6-11(17)7-10/h4-7,22H,3H2,1-2H3.
What are the key properties of 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 316.74 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorobenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).