1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

C10H10BrNO — CID 122632624

IUPAC1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
SMILESCC(=O)C1CCc2cc(Br)cnc21
InChIInChI=1S/C10H10BrNO/c1-6(13)9-3-2-7-4-8(11)5-12-10(7)9/h4-5,9H,2-3H2,1H3
InChIKeyOZZQZIUDJLFLSJ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.46
Rot. Bonds1

About 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone (PubChem CID 122632624) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
PubChem CID122632624
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
SMILESCC(=O)C1CCc2cc(Br)cnc21
InChIInChI=1S/C10H10BrNO/c1-6(13)9-3-2-7-4-8(11)5-12-10(7)9/h4-5,9H,2-3H2,1H3
InChIKeyOZZQZIUDJLFLSJ-UHFFFAOYSA-N
XLogP2.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methylpyridin-2-Yl)Acetone
CID 16640571
2-(Pyridin-2-yl)cyclopentan-1-one
CID 2737243
1-(4-Bromophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 22719885
Rotundine A
CID 10728239
4-[(6R)-1,5,5-trimethyl-6,7-dihydrocyclopenta[c]pyridin-6-yl]butan-2-one
CID 162995584
1-(5-Methylpyridin-2-yl)propan-2-one
CID 18667546
1-(5-Bromo-3-methyl-2-pyridinyl)ethanone
CID 22965883
3-bromo-5H,6H,7H-cyclopenta[b]pyridin-7-one
CID 46864158
4-bromo-5H,6H,7H-cyclopenta(b)pyridin-7-one
CID 118421400
1-(3-Bromo-5-methylpyridin-2-yl)ethan-1-one
CID 129958357
4-[(6S)-1,5,5-trimethyl-6,7-dihydrocyclopenta[c]pyridin-6-yl]butan-2-one
CID 162995585
2-[2-(4-Bromophenyl)-2-oxoethyl]-1-methylpyridinium
CID 9888249

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The IUPAC name of 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone (CID 122632624) is 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone is CC(=O)C1CCc2cc(Br)cnc21.
What is the InChIKey of 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The InChIKey is OZZQZIUDJLFLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6(13)9-3-2-7-4-8(11)5-12-10(7)9/h4-5,9H,2-3H2,1H3.
What are the key properties of 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone has a molecular weight of 240.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone is sourced from PubChem (CID 122632624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).