6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one

C8H6BrNO — CID 58717473

IUPAC6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one
SMILESO=C1c2ccncc2CC1Br
InChIInChI=1S/C8H6BrNO/c9-7-3-5-4-10-2-1-6(5)8(7)11/h1-2,4,7H,3H2
InChIKeyPDDSNPICOSBVMI-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.58
Rot. Bonds

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

6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one (PubChem CID 58717473) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one.

Molecular Properties

Compound Name6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one
PubChem CID58717473
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one
SMILESO=C1c2ccncc2CC1Br
InChIInChI=1S/C8H6BrNO/c9-7-3-5-4-10-2-1-6(5)8(7)11/h1-2,4,7H,3H2
InChIKeyPDDSNPICOSBVMI-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-5-methyl-2,3-dihydroinden-1-one
CID 177205826
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
2-bromo-5-hydroxy-2,3-dihydroinden-1-one
CID 71600332
2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
2-[(2-bromo-1-oxo-2,3-dihydroinden-5-yl)methyl]isoindole-1,3-dione
CID 18790724
3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 141123599
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
ethyl 5-oxo-7,8-dihydro-6H-isoquinoline-6-carboxylate
CID 23157134
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834

Frequently Asked Questions

What is the IUPAC name of 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one?
The IUPAC name of 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one (CID 58717473) is 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one.
What is the SMILES notation for 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one?
The canonical SMILES for 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one is O=C1c2ccncc2CC1Br.
What is the InChIKey of 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one?
The InChIKey is PDDSNPICOSBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-7-3-5-4-10-2-1-6(5)8(7)11/h1-2,4,7H,3H2.
What are the key properties of 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one?
6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one has a molecular weight of 212.05 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one is sourced from PubChem (CID 58717473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).