2-(5-amino-2-pyridinyl)isoindole-1,3-dione

C13H9N3O2 — CID 55127187

IUPAC2-(5-amino-2-pyridinyl)isoindole-1,3-dione
SMILESNc1ccc(N2C(=O)c3ccccc3C2=O)nc1
InChIInChI=1S/C13H9N3O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H,14H2
InChIKeyBIBJBMRYHUSGMQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.46
Rot. Bonds1

About 2-(5-amino-2-pyridinyl)isoindole-1,3-dione

2-(5-amino-2-pyridinyl)isoindole-1,3-dione (PubChem CID 55127187) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)isoindole-1,3-dione
PubChem CID55127187
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-(5-amino-2-pyridinyl)isoindole-1,3-dione
SMILESNc1ccc(N2C(=O)c3ccccc3C2=O)nc1
InChIInChI=1S/C13H9N3O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H,14H2
InChIKeyBIBJBMRYHUSGMQ-UHFFFAOYSA-N
XLogP1.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 2-(5-amino-2-pyridinyl)isoindole-1,3-dione (CID 55127187) is 2-(5-amino-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-amino-2-pyridinyl)isoindole-1,3-dione is Nc1ccc(N2C(=O)c3ccccc3C2=O)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is BIBJBMRYHUSGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H,14H2.
What are the key properties of 2-(5-amino-2-pyridinyl)isoindole-1,3-dione?
2-(5-amino-2-pyridinyl)isoindole-1,3-dione has a molecular weight of 239.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 55127187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).