2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

C11H7N3O2 — CID 175097917

IUPAC2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(-c3ccccn3)[nH]c2C1=O
InChIInChI=1S/C11H7N3O2/c15-10-9-8(14-11(10)16)5-7(13-9)6-3-1-2-4-12-6/h1-5,13H,(H,14,15,16)
InChIKeyKQCYFTDSVFLIRQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.21
Rot. Bonds1

About 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 175097917) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID175097917
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2cc(-c3ccccn3)[nH]c2C1=O
InChIInChI=1S/C11H7N3O2/c15-10-9-8(14-11(10)16)5-7(13-9)6-3-1-2-4-12-6/h1-5,13H,(H,14,15,16)
InChIKeyKQCYFTDSVFLIRQ-UHFFFAOYSA-N
XLogP1.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
6-pyridin-2-yl-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206451
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174225728
4-methoxy-6-pyridin-2-yl-1H-pyridin-2-one
CID 121218166
acetonitrile;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175553313
2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine
CID 166446555
2-chloro-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174763729
2-hydroxy-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174918402
5-bromo-2-pyridin-2-yl-1H-indole
CID 131887159
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943
3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 129448586
2-methyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 53330998

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 175097917) is 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is O=C1Nc2cc(-c3ccccn3)[nH]c2C1=O.
What is the InChIKey of 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is KQCYFTDSVFLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-9-8(14-11(10)16)5-7(13-9)6-3-1-2-4-12-6/h1-5,13H,(H,14,15,16).
What are the key properties of 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 213.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 175097917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).