4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione

C9H7BrClN3O2 — CID 114837207

IUPAC4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
SMILESO=C1CN(c2ncc(Cl)cc2Br)CC(=O)N1
InChIInChI=1S/C9H7BrClN3O2/c10-6-1-5(11)2-12-9(6)14-3-7(15)13-8(16)4-14/h1-2H,3-4H2,(H,13,15,16)
InChIKeyNMAWUWPPZVNJMV-UHFFFAOYSA-N
MW304.53 g/mol
LogP0.96
Rot. Bonds1

About 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione

4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione (PubChem CID 114837207) has the molecular formula C9H7BrClN3O2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
PubChem CID114837207
Molecular FormulaC9H7BrClN3O2
Molecular Weight304.53 g/mol
Exact Mass302.94
IUPAC Name4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
SMILESO=C1CN(c2ncc(Cl)cc2Br)CC(=O)N1
InChIInChI=1S/C9H7BrClN3O2/c10-6-1-5(11)2-12-9(6)14-3-7(15)13-8(16)4-14/h1-2H,3-4H2,(H,13,15,16)
InChIKeyNMAWUWPPZVNJMV-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 50.96
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 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione (CID 114837207) is 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione is O=C1CN(c2ncc(Cl)cc2Br)CC(=O)N1.
What is the InChIKey of 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione?
The InChIKey is NMAWUWPPZVNJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O2/c10-6-1-5(11)2-12-9(6)14-3-7(15)13-8(16)4-14/h1-2H,3-4H2,(H,13,15,16).
What are the key properties of 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione?
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione has a molecular weight of 304.53 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione is sourced from PubChem (CID 114837207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).