5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C15H11ClN2O3 — CID 19114944

IUPAC5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccccc2Cl)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H11ClN2O3/c1-8-10(7-17)14(20)18(2)15(21)12(8)13(19)9-5-3-4-6-11(9)16/h3-6,21H,1-2H3
InChIKeyVCFCSJPTVQIJRS-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.16
Rot. Bonds2

About 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19114944) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19114944
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccccc2Cl)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H11ClN2O3/c1-8-10(7-17)14(20)18(2)15(21)12(8)13(19)9-5-3-4-6-11(9)16/h3-6,21H,1-2H3
InChIKeyVCFCSJPTVQIJRS-UHFFFAOYSA-N
XLogP2.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19114944) is 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)c2ccccc2Cl)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is VCFCSJPTVQIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-8-10(7-17)14(20)18(2)15(21)12(8)13(19)9-5-3-4-6-11(9)16/h3-6,21H,1-2H3.
What are the key properties of 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 302.72 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).