(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione

C10H7BrN2O2 — CID 56761048

IUPAC(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2cccc(Br)n2)C(=O)N1
InChIInChI=1S/C10H7BrN2O2/c11-8-3-1-2-7(12-8)4-6-5-9(14)13-10(6)15/h1-4H,5H2,(H,13,14,15)/b6-4+
InChIKeyQFILXHCGSYFECQ-GQCTYLIASA-N
MW267.08 g/mol
LogP1.27
Rot. Bonds1

About (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione

(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 56761048) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione
PubChem CID56761048
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2cccc(Br)n2)C(=O)N1
InChIInChI=1S/C10H7BrN2O2/c11-8-3-1-2-7(12-8)4-6-5-9(14)13-10(6)15/h1-4H,5H2,(H,13,14,15)/b6-4+
InChIKeyQFILXHCGSYFECQ-GQCTYLIASA-N
XLogP1.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione (CID 56761048) is (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione is O=C1C/C(=C\c2cccc(Br)n2)C(=O)N1.
What is the InChIKey of (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is QFILXHCGSYFECQ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-3-1-2-7(12-8)4-6-5-9(14)13-10(6)15/h1-4H,5H2,(H,13,14,15)/b6-4+.
What are the key properties of (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 267.08 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 56761048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).