5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile

C20H13ClN2O3 — CID 2368324

IUPAC5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1
InChIInChI=1S/C20H13ClN2O3/c1-12-2-5-16(6-3-12)23-11-14(8-13(10-22)20(23)26)19(25)17-9-15(21)4-7-18(17)24/h2-9,11,24H,1H3
InChIKeyDBAUJOKFSLRHRA-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.61
Rot. Bonds3

About 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile

5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2368324) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID2368324
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1
InChIInChI=1S/C20H13ClN2O3/c1-12-2-5-16(6-3-12)23-11-14(8-13(10-22)20(23)26)19(25)17-9-15(21)4-7-18(17)24/h2-9,11,24H,1H3
InChIKeyDBAUJOKFSLRHRA-UHFFFAOYSA-N
XLogP3.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile (CID 2368324) is 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is DBAUJOKFSLRHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c1-12-2-5-16(6-3-12)23-11-14(8-13(10-22)20(23)26)19(25)17-9-15(21)4-7-18(17)24/h2-9,11,24H,1H3.
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile?
5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 364.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxybenzoyl)-1-(4-methylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2368324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).