7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H16BrClN2O4 — CID 18819666

About 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18819666) has the molecular formula C25H16BrClN2O4 and a molecular weight of 523.77 g/mol. Its IUPAC name is 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18819666
• Molecular Formula: C25H16BrClN2O4
• Molecular Weight: 523.77 g/mol
• Exact Mass: 522.00
• IUPAC Name: 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1
• InChI: InChI=1S/C25H16BrClN2O4/c1-2-10-32-17-5-3-4-14(11-17)22-21-23(30)18-12-15(26)6-8-19(18)33-24(21)25(31)29(22)20-9-7-16(27)13-28-20/h2-9,11-13,22H,1,10H2
• InChIKey: ZVIPMSKQELNXHX-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 72.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.77
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18819666) is 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1.

What is the InChIKey of 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ZVIPMSKQELNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrClN2O4/c1-2-10-32-17-5-3-4-14(11-17)22-21-23(30)18-12-15(26)6-8-19(18)33-24(21)25(31)29(22)20-9-7-16(27)13-28-20/h2-9,11-13,22H,1,10H2.

What are the key properties of 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 523.77 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18819666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).