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

C22H12BrClN2O3 — CID 5214330

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

7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5214330) has the molecular formula C22H12BrClN2O3 and a molecular weight of 467.71 g/mol. Its IUPAC name is 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 5214330
• Molecular Formula: C22H12BrClN2O3
• Molecular Weight: 467.71 g/mol
• Exact Mass: 465.97
• IUPAC Name: 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2)N1c1ccc(Cl)cn1
• InChI: InChI=1S/C22H12BrClN2O3/c23-13-6-8-16-15(10-13)20(27)18-19(12-4-2-1-3-5-12)26(22(28)21(18)29-16)17-9-7-14(24)11-25-17/h1-11,19H
• InChIKey: ZJOWGBRFWGGJHN-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.71
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5214330) is 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2)N1c1ccc(Cl)cn1.

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

The InChIKey is ZJOWGBRFWGGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrClN2O3/c23-13-6-8-16-15(10-13)20(27)18-19(12-4-2-1-3-5-12)26(22(28)21(18)29-16)17-9-7-14(24)11-25-17/h1-11,19H.

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

7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.71 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5214330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).