6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione

C14H11BrN2O2S — CID 118384594

IUPAC6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(=O)NC(c2ccsc2)(c2cccc(Br)n2)C1
InChIInChI=1S/C14H11BrN2O2S/c15-12-3-1-2-11(16-12)14(9-4-5-20-8-9)7-10(18)6-13(19)17-14/h1-5,8H,6-7H2,(H,17,19)
InChIKeyKLYJEUOFYSSZDU-UHFFFAOYSA-N
MW351.23 g/mol
LogP2.63
Rot. Bonds2

About 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione

6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione (PubChem CID 118384594) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione
PubChem CID118384594
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(=O)NC(c2ccsc2)(c2cccc(Br)n2)C1
InChIInChI=1S/C14H11BrN2O2S/c15-12-3-1-2-11(16-12)14(9-4-5-20-8-9)7-10(18)6-13(19)17-14/h1-5,8H,6-7H2,(H,17,19)
InChIKeyKLYJEUOFYSSZDU-UHFFFAOYSA-N
XLogP2.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The IUPAC name of 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione (CID 118384594) is 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione.
What is the SMILES notation for 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The canonical SMILES for 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione is O=C1CC(=O)NC(c2ccsc2)(c2cccc(Br)n2)C1.
What is the InChIKey of 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The InChIKey is KLYJEUOFYSSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-12-3-1-2-11(16-12)14(9-4-5-20-8-9)7-10(18)6-13(19)17-14/h1-5,8H,6-7H2,(H,17,19).
What are the key properties of 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione has a molecular weight of 351.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione is sourced from PubChem (CID 118384594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).