3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione

C11H7N3O2 — CID 119085561

IUPAC3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(n2ccc3cccnc32)C(=O)N1
InChIInChI=1S/C11H7N3O2/c15-9-6-8(11(16)13-9)14-5-3-7-2-1-4-12-10(7)14/h1-6H,(H,13,15,16)
InChIKeyRJDUTMGBNAAQNJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.53
Rot. Bonds1

About 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione

3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione (PubChem CID 119085561) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione
PubChem CID119085561
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(n2ccc3cccnc32)C(=O)N1
InChIInChI=1S/C11H7N3O2/c15-9-6-8(11(16)13-9)14-5-3-7-2-1-4-12-10(7)14/h1-6H,(H,13,15,16)
InChIKeyRJDUTMGBNAAQNJ-UHFFFAOYSA-N
XLogP0.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
CID 138972796
1-[4-[4-methyl-6-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 126561534
4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
CID 53302005
1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216147
3-quinolin-8-ylpyrrole-2,5-dione
CID 106694986
N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
CID 44521487
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
2-(5-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)propan-2-ol
CID 140781022
1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216183
trimethyl(2-pyrrolo[2,3-b]pyridin-1-yloxyethyl)silane
CID 153406221

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione (CID 119085561) is 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione is O=C1C=C(n2ccc3cccnc32)C(=O)N1.
What is the InChIKey of 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione?
The InChIKey is RJDUTMGBNAAQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-9-6-8(11(16)13-9)14-5-3-7-2-1-4-12-10(7)14/h1-6H,(H,13,15,16).
What are the key properties of 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione?
3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione has a molecular weight of 213.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 119085561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).