3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione

C12H11BrN2O2 — CID 103551956

IUPAC3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(C2)C(=O)N1c1ccc(Br)cn1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-4-10(14-6-9)15-11(16)7-1-2-8(5-7)12(15)17/h3-4,6-8H,1-2,5H2
InChIKeyVIYWOOVNLQPGRF-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.13
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione

3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 103551956) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID103551956
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(C2)C(=O)N1c1ccc(Br)cn1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-4-10(14-6-9)15-11(16)7-1-2-8(5-7)12(15)17/h3-4,6-8H,1-2,5H2
InChIKeyVIYWOOVNLQPGRF-UHFFFAOYSA-N
XLogP2.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 103551956) is 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione is O=C1C2CCC(C2)C(=O)N1c1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is VIYWOOVNLQPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-3-4-10(14-6-9)15-11(16)7-1-2-8(5-7)12(15)17/h3-4,6-8H,1-2,5H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 103551956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).