3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C24H14Br2N2O4 — CID 108673440

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1cccnc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H14Br2N2O4/c25-15-4-1-5-17(11-15)28-21(13-3-2-8-27-12-13)20(23(30)24(28)31)22(29)19-10-14-9-16(26)6-7-18(14)32-19/h1-12,21,30H
InChIKeyNYGDHJJQQBQIKS-UHFFFAOYSA-N
MW554.19 g/mol
LogP6.14
Rot. Bonds4

About 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108673440) has the molecular formula C24H14Br2N2O4 and a molecular weight of 554.19 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108673440
Molecular FormulaC24H14Br2N2O4
Molecular Weight554.19 g/mol
Exact Mass551.93
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1cccnc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H14Br2N2O4/c25-15-4-1-5-17(11-15)28-21(13-3-2-8-27-12-13)20(23(30)24(28)31)22(29)19-10-14-9-16(26)6-7-18(14)32-19/h1-12,21,30H
InChIKeyNYGDHJJQQBQIKS-UHFFFAOYSA-N
XLogP6.14
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.19
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108672831
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108628999
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108673423
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629775
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 108687409
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597798
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582708
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600043
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591048
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108679426
propan-2-yl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673221
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592004

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108673440) is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1cccnc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is NYGDHJJQQBQIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2N2O4/c25-15-4-1-5-17(11-15)28-21(13-3-2-8-27-12-13)20(23(30)24(28)31)22(29)19-10-14-9-16(26)6-7-18(14)32-19/h1-12,21,30H.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 554.19 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108673440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).