5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile

C19H9BrCl2N2O3 — CID 3919821

IUPAC5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C19H9BrCl2N2O3/c20-12-1-2-17(25)16(4-12)18(26)11-3-10(8-23)19(27)24(9-11)15-6-13(21)5-14(22)7-15/h1-7,9,25H
InChIKeyCUYWNXIINVQYMV-UHFFFAOYSA-N
MW464.10 g/mol
LogP4.72
Rot. Bonds3

About 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile

5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 3919821) has the molecular formula C19H9BrCl2N2O3 and a molecular weight of 464.10 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID3919821
Molecular FormulaC19H9BrCl2N2O3
Molecular Weight464.10 g/mol
Exact Mass461.92
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C19H9BrCl2N2O3/c20-12-1-2-17(25)16(4-12)18(26)11-3-10(8-23)19(27)24(9-11)15-6-13(21)5-14(22)7-15/h1-7,9,25H
InChIKeyCUYWNXIINVQYMV-UHFFFAOYSA-N
XLogP4.72
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.10
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-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-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile (CID 3919821) is 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is CUYWNXIINVQYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9BrCl2N2O3/c20-12-1-2-17(25)16(4-12)18(26)11-3-10(8-23)19(27)24(9-11)15-6-13(21)5-14(22)7-15/h1-7,9,25H.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 464.10 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-hydroxybenzoyl)-1-(3,5-dichlorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3919821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).