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

C23H14BrFN2O3 — CID 4709034

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

7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709034) has the molecular formula C23H14BrFN2O3 and a molecular weight of 465.28 g/mol. Its IUPAC name is 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4709034
• Molecular Formula: C23H14BrFN2O3
• Molecular Weight: 465.28 g/mol
• Exact Mass: 464.02
• IUPAC Name: 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)nc1
• InChI: InChI=1S/C23H14BrFN2O3/c1-12-6-9-18(26-11-12)27-20(14-4-2-3-5-16(14)25)19-21(28)15-10-13(24)7-8-17(15)30-22(19)23(27)29/h2-11,20H,1H3
• InChIKey: GHVJBBMNHYGXNL-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.28
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709034) is 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)nc1.

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

The InChIKey is GHVJBBMNHYGXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrFN2O3/c1-12-6-9-18(26-11-12)27-20(14-4-2-3-5-16(14)25)19-21(28)15-10-13(24)7-8-17(15)30-22(19)23(27)29/h2-11,20H,1H3.

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

7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 465.28 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).