1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one

C8H5Br2NO — CID 156859145

IUPAC1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one
SMILESO=C1CCc2c(Br)cnc(Br)c21
InChIInChI=1S/C8H5Br2NO/c9-5-3-11-8(10)7-4(5)1-2-6(7)12/h3H,1-2H2
InChIKeyHQAXGWHKMCOKJB-UHFFFAOYSA-N
MW290.94 g/mol
LogP2.74
Rot. Bonds

About 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one

1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one (PubChem CID 156859145) has the molecular formula C8H5Br2NO and a molecular weight of 290.94 g/mol. Its IUPAC name is 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one.

Molecular Properties

Compound Name1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one
PubChem CID156859145
Molecular FormulaC8H5Br2NO
Molecular Weight290.94 g/mol
Exact Mass288.87
IUPAC Name1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one
SMILESO=C1CCc2c(Br)cnc(Br)c21
InChIInChI=1S/C8H5Br2NO/c9-5-3-11-8(10)7-4(5)1-2-6(7)12/h3H,1-2H2
InChIKeyHQAXGWHKMCOKJB-UHFFFAOYSA-N
XLogP2.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.94
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one?
The IUPAC name of 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one (CID 156859145) is 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one.
What is the SMILES notation for 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one?
The canonical SMILES for 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one is O=C1CCc2c(Br)cnc(Br)c21.
What is the InChIKey of 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one?
The InChIKey is HQAXGWHKMCOKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO/c9-5-3-11-8(10)7-4(5)1-2-6(7)12/h3H,1-2H2.
What are the key properties of 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one?
1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one has a molecular weight of 290.94 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one is sourced from PubChem (CID 156859145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).