4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C20H8Br2N4O4 — CID 23823306

IUPAC4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2c(Br)c3c(=O)n(-c4ccccn4)c(=O)c3c(Br)c2c(=O)n1-c1ccccn1
InChIInChI=1S/C20H8Br2N4O4/c21-15-11-12(18(28)25(17(11)27)9-5-1-3-7-23-9)16(22)14-13(15)19(29)26(20(14)30)10-6-2-4-8-24-10/h1-8H
InChIKeyOIXRKLCEXHCCSK-UHFFFAOYSA-N
MW528.12 g/mol
LogP2.21
Rot. Bonds2

About 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 23823306) has the molecular formula C20H8Br2N4O4 and a molecular weight of 528.12 g/mol. Its IUPAC name is 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID23823306
Molecular FormulaC20H8Br2N4O4
Molecular Weight528.12 g/mol
Exact Mass525.89
IUPAC Name4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2c(Br)c3c(=O)n(-c4ccccn4)c(=O)c3c(Br)c2c(=O)n1-c1ccccn1
InChIInChI=1S/C20H8Br2N4O4/c21-15-11-12(18(28)25(17(11)27)9-5-1-3-7-23-9)16(22)14-13(15)19(29)26(20(14)30)10-6-2-4-8-24-10/h1-8H
InChIKeyOIXRKLCEXHCCSK-UHFFFAOYSA-N
XLogP2.21
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 23823306) is 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2c(Br)c3c(=O)n(-c4ccccn4)c(=O)c3c(Br)c2c(=O)n1-c1ccccn1.
What is the InChIKey of 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is OIXRKLCEXHCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Br2N4O4/c21-15-11-12(18(28)25(17(11)27)9-5-1-3-7-23-9)16(22)14-13(15)19(29)26(20(14)30)10-6-2-4-8-24-10/h1-8H.
What are the key properties of 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 528.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 23823306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).