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

C13H7ClN2O2 — CID 554989

IUPAC2-(5-chloro-2-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C13H7ClN2O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H
InChIKeyXNQAHKGAKUEWGJ-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.54
Rot. Bonds1

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

2-(5-chloro-2-pyridinyl)isoindole-1,3-dione (PubChem CID 554989) has the molecular formula C13H7ClN2O2 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)isoindole-1,3-dione
PubChem CID554989
Molecular FormulaC13H7ClN2O2
Molecular Weight258.66 g/mol
Exact Mass258.02
IUPAC Name2-(5-chloro-2-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C13H7ClN2O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H
InChIKeyXNQAHKGAKUEWGJ-UHFFFAOYSA-N
XLogP2.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione (CID 554989) is 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is XNQAHKGAKUEWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7H.
What are the key properties of 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
2-(5-chloro-2-pyridinyl)isoindole-1,3-dione has a molecular weight of 258.66 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 554989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).