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

C16H13BrN2O4 — CID 3976796

IUPAC5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
SMILESCOCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C16H13BrN2O4/c1-23-5-4-19-9-11(6-10(8-18)16(19)22)15(21)13-7-12(17)2-3-14(13)20/h2-3,6-7,9,20H,4-5H2,1H3
InChIKeyYPDOGEYIDPUMMF-UHFFFAOYSA-N
MW377.19 g/mol
LogP2.07
Rot. Bonds5

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

5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 3976796) has the molecular formula C16H13BrN2O4 and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
PubChem CID3976796
Molecular FormulaC16H13BrN2O4
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
SMILESCOCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C16H13BrN2O4/c1-23-5-4-19-9-11(6-10(8-18)16(19)22)15(21)13-7-12(17)2-3-14(13)20/h2-3,6-7,9,20H,4-5H2,1H3
InChIKeyYPDOGEYIDPUMMF-UHFFFAOYSA-N
XLogP2.07
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-Bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile
CID 2368269
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 2467573
5-(5-Bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
CID 3000211
5-(5-Bromo-2-hydroxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 3301986
5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 3519418
5-(5-Bromo-2-hydroxybenzoyl)-1-(3-ethoxypropyl)-2-oxopyridine-3-carbonitrile
CID 3554033
5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile
CID 5022519
1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one
CID 6263092
5-(2-Hydroxybenzoyl)-2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2393667
1-Benzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 3427652
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 3984843
1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one
CID 5072271

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile (CID 3976796) is 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile is COCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is YPDOGEYIDPUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4/c1-23-5-4-19-9-11(6-10(8-18)16(19)22)15(21)13-7-12(17)2-3-14(13)20/h2-3,6-7,9,20H,4-5H2,1H3.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 377.19 g/mol, XLogP of 2.07, 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-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3976796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).