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

C13H8ClN3O2 — CID 103094637

IUPAC5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1ncccc1Cl)C2=O
InChIInChI=1S/C13H8ClN3O2/c14-10-2-1-5-16-11(10)17-12(18)8-4-3-7(15)6-9(8)13(17)19/h1-6H,15H2
InChIKeyUQINIQKYBCBECE-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.12
Rot. Bonds1

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

5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione (PubChem CID 103094637) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione
PubChem CID103094637
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1ncccc1Cl)C2=O
InChIInChI=1S/C13H8ClN3O2/c14-10-2-1-5-16-11(10)17-12(18)8-4-3-7(15)6-9(8)13(17)19/h1-6H,15H2
InChIKeyUQINIQKYBCBECE-UHFFFAOYSA-N
XLogP2.12
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione (CID 103094637) is 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(c1ncccc1Cl)C2=O.
What is the InChIKey of 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is UQINIQKYBCBECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-2-1-5-16-11(10)17-12(18)8-4-3-7(15)6-9(8)13(17)19/h1-6H,15H2.
What are the key properties of 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione?
5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione has a molecular weight of 273.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 103094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).