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

C20H9BrN4O4 — CID 132600748

IUPAC8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4cccnc4)c(=O)c3c(Br)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C20H9BrN4O4/c21-16-14-12(17(26)24(19(14)28)10-3-1-5-22-8-10)7-13-15(16)20(29)25(18(13)27)11-4-2-6-23-9-11/h1-9H
InChIKeyBJHVKMULFZIMLK-UHFFFAOYSA-N
MW449.22 g/mol
LogP1.44
Rot. Bonds2

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

8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 132600748) has the molecular formula C20H9BrN4O4 and a molecular weight of 449.22 g/mol. Its IUPAC name is 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID132600748
Molecular FormulaC20H9BrN4O4
Molecular Weight449.22 g/mol
Exact Mass447.98
IUPAC Name8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4cccnc4)c(=O)c3c(Br)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C20H9BrN4O4/c21-16-14-12(17(26)24(19(14)28)10-3-1-5-22-8-10)7-13-15(16)20(29)25(18(13)27)11-4-2-6-23-9-11/h1-9H
InChIKeyBJHVKMULFZIMLK-UHFFFAOYSA-N
XLogP1.44
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 134576389
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ethane;4,4',6,6'-tetrapyridin-3-yl-2,2'-spirobi[imidazo[4,5-d][1,3,2]dithiazol-2-ium]-5,5'-dione
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3-(4-bromoimidazol-1-yl)pyridine
CID 66520793
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
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2-pyridin-3-yl-1H-tetrazol-5-one
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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 132600748) is 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4cccnc4)c(=O)c3c(Br)c2c(=O)n1-c1cccnc1.
What is the InChIKey of 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is BJHVKMULFZIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9BrN4O4/c21-16-14-12(17(26)24(19(14)28)10-3-1-5-22-8-10)7-13-15(16)20(29)25(18(13)27)11-4-2-6-23-9-11/h1-9H.
What are the key properties of 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 449.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,6-dipyridin-3-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 132600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).