5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile

C17H15BrN2O3 — CID 2368269

IUPAC5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C17H15BrN2O3/c1-2-3-6-20-10-12(7-11(9-19)17(20)23)16(22)14-8-13(18)4-5-15(14)21/h4-5,7-8,10,21H,2-3,6H2,1H3
InChIKeyUCNRKIGNPMYPKY-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.22
Rot. Bonds5

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

5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile (PubChem CID 2368269) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile
PubChem CID2368269
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C17H15BrN2O3/c1-2-3-6-20-10-12(7-11(9-19)17(20)23)16(22)14-8-13(18)4-5-15(14)21/h4-5,7-8,10,21H,2-3,6H2,1H3
InChIKeyUCNRKIGNPMYPKY-UHFFFAOYSA-N
XLogP3.22
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile (CID 2368269) is 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile is CCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UCNRKIGNPMYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-2-3-6-20-10-12(7-11(9-19)17(20)23)16(22)14-8-13(18)4-5-15(14)21/h4-5,7-8,10,21H,2-3,6H2,1H3.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile has a molecular weight of 375.22 g/mol, XLogP of 3.22, 5 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-butyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2368269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).