3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione

C10H9BrClN3O2 — CID 114835980

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ncc(Cl)cc2Br)C(=O)N1
InChIInChI=1S/C10H9BrClN3O2/c11-6-3-5(12)4-13-9(6)14-7-1-2-8(16)15-10(7)17/h3-4,7H,1-2H2,(H,13,14)(H,15,16,17)
InChIKeyZBJZHBTZVRAHNC-UHFFFAOYSA-N
MW318.56 g/mol
LogP1.71
Rot. Bonds2

About 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione

3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 114835980) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione
PubChem CID114835980
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ncc(Cl)cc2Br)C(=O)N1
InChIInChI=1S/C10H9BrClN3O2/c11-6-3-5(12)4-13-9(6)14-7-1-2-8(16)15-10(7)17/h3-4,7H,1-2H2,(H,13,14)(H,15,16,17)
InChIKeyZBJZHBTZVRAHNC-UHFFFAOYSA-N
XLogP1.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 51.71
H-Bond Donors ≤ 52
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 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione (CID 114835980) is 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione is O=C1CCC(Nc2ncc(Cl)cc2Br)C(=O)N1.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is ZBJZHBTZVRAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2/c11-6-3-5(12)4-13-9(6)14-7-1-2-8(16)15-10(7)17/h3-4,7H,1-2H2,(H,13,14)(H,15,16,17).
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione?
3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 318.56 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 114835980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).