7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H15BrN2O3 — CID 3772979

About 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3772979) has the molecular formula C23H15BrN2O3 and a molecular weight of 447.29 g/mol. Its IUPAC name is 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3772979
• Molecular Formula: C23H15BrN2O3
• Molecular Weight: 447.29 g/mol
• Exact Mass: 446.03
• IUPAC Name: 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2)n1
• InChI: InChI=1S/C23H15BrN2O3/c1-13-6-5-9-18(25-13)26-20(14-7-3-2-4-8-14)19-21(27)16-12-15(24)10-11-17(16)29-22(19)23(26)28/h2-12,20H,1H3
• InChIKey: ROWHAZXJIFTHBM-UHFFFAOYSA-N
• XLogP: 5.01
• 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	447.29
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3772979) is 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2)n1.

What is the InChIKey of 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ROWHAZXJIFTHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2O3/c1-13-6-5-9-18(25-13)26-20(14-7-3-2-4-8-14)19-21(27)16-12-15(24)10-11-17(16)29-22(19)23(26)28/h2-12,20H,1H3.

What are the key properties of 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 447.29 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3772979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).