1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione

C11H11BrClN3O2 — CID 122147044

IUPAC1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCNc1ncc(Br)cc1Cl
InChIInChI=1S/C11H11BrClN3O2/c12-7-5-8(13)11(15-6-7)14-3-4-16-9(17)1-2-10(16)18/h5-6H,1-4H2,(H,14,15)
InChIKeyYZVOKDSDFJLSGP-UHFFFAOYSA-N
MW332.59 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione

1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 122147044) has the molecular formula C11H11BrClN3O2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
PubChem CID122147044
Molecular FormulaC11H11BrClN3O2
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCNc1ncc(Br)cc1Cl
InChIInChI=1S/C11H11BrClN3O2/c12-7-5-8(13)11(15-6-7)14-3-4-16-9(17)1-2-10(16)18/h5-6H,1-4H2,(H,14,15)
InChIKeyYZVOKDSDFJLSGP-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 52.06
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 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione (CID 122147044) is 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCNc1ncc(Br)cc1Cl.
What is the InChIKey of 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is YZVOKDSDFJLSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2/c12-7-5-8(13)11(15-6-7)14-3-4-16-9(17)1-2-10(16)18/h5-6H,1-4H2,(H,14,15).
What are the key properties of 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 332.59 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122147044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).