2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one

C25H17BrN2O5 — CID 18828846

About 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one

2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 18828846) has the molecular formula C25H17BrN2O5 and a molecular weight of 505.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one
• PubChem CID: 18828846
• Molecular Formula: C25H17BrN2O5
• Molecular Weight: 505.32 g/mol
• Exact Mass: 504.03
• IUPAC Name: 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccn4)C3c3ccc(Br)cc3)oc12
• InChI: InChI=1S/C25H17BrN2O5/c1-32-17-6-4-5-15-13-18(33-24(15)17)22(29)20-21(14-8-10-16(26)11-9-14)28(25(31)23(20)30)19-7-2-3-12-27-19/h2-13,21,30H,1H3
• InChIKey: BDAWKHIYVNVOHI-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.32
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one?

The IUPAC name of 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one (CID 18828846) is 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one.

What is the SMILES notation for 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one?

The canonical SMILES for 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccn4)C3c3ccc(Br)cc3)oc12.

What is the InChIKey of 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one?

The InChIKey is BDAWKHIYVNVOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2O5/c1-32-17-6-4-5-15-13-18(33-24(15)17)22(29)20-21(14-8-10-16(26)11-9-14)28(25(31)23(20)30)19-7-2-3-12-27-19/h2-13,21,30H,1H3.

What are the key properties of 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one?

2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 505.32 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 18828846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).