3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one

C8H6BrNO — CID 46864158

IUPAC3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one
SMILESO=C1CCc2cc(Br)cnc21
InChIInChI=1S/C8H6BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4H,1-2H2
InChIKeyTWEMEGANYJCTRY-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.97
Rot. Bonds

About 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one

3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one (PubChem CID 46864158) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one.

Molecular Properties

Compound Name3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one
PubChem CID46864158
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one
SMILESO=C1CCc2cc(Br)cnc21
InChIInChI=1S/C8H6BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4H,1-2H2
InChIKeyTWEMEGANYJCTRY-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one?
The IUPAC name of 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one (CID 46864158) is 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one.
What is the SMILES notation for 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one?
The canonical SMILES for 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one is O=C1CCc2cc(Br)cnc21.
What is the InChIKey of 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one?
The InChIKey is TWEMEGANYJCTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4H,1-2H2.
What are the key properties of 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one?
3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one has a molecular weight of 212.05 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one is sourced from PubChem (CID 46864158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).