5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile

C17H15BrN2O4 — CID 22109223

IUPAC5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile
SMILESCOCC(C)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C17H15BrN2O4/c1-10(9-24-2)20-8-12(5-11(7-19)17(20)23)16(22)14-6-13(18)3-4-15(14)21/h3-6,8,10,21H,9H2,1-2H3
InChIKeyHBJMLCLOHOLPCH-UHFFFAOYSA-N
MW391.22 g/mol
LogP2.63
Rot. Bonds5

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

5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile (PubChem CID 22109223) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile
PubChem CID22109223
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile
SMILESCOCC(C)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C17H15BrN2O4/c1-10(9-24-2)20-8-12(5-11(7-19)17(20)23)16(22)14-6-13(18)3-4-15(14)21/h3-6,8,10,21H,9H2,1-2H3
InChIKeyHBJMLCLOHOLPCH-UHFFFAOYSA-N
XLogP2.63
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile
CID 41071133
5-(5-bromo-2-hydroxybenzoyl)-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 4036984
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile
CID 2368271
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
CID 2378025
5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2368060
5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2367263
5-(5-chloro-2-hydroxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxopyridine-3-carbonitrile
CID 2378028
dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate
CID 142741692
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 3613028
1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 2369250
4-bromo-2-(4-methoxybenzoyl)benzonitrile
CID 121004784
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile (CID 22109223) is 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile is COCC(C)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile?
The InChIKey is HBJMLCLOHOLPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-10(9-24-2)20-8-12(5-11(7-19)17(20)23)16(22)14-6-13(18)3-4-15(14)21/h3-6,8,10,21H,9H2,1-2H3.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile has a molecular weight of 391.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 22109223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).