3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one

C8H6ClNO — CID 118142930

IUPAC3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one
SMILESO=C1CCc2cc(Cl)ncc21
InChIInChI=1S/C8H6ClNO/c9-8-3-5-1-2-7(11)6(5)4-10-8/h3-4H,1-2H2
InChIKeyIFLYOMGKTMVBHU-UHFFFAOYSA-N
MW167.59 g/mol
LogP1.86
Rot. Bonds

About 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one

3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one (PubChem CID 118142930) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one
PubChem CID118142930
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one
SMILESO=C1CCc2cc(Cl)ncc21
InChIInChI=1S/C8H6ClNO/c9-8-3-5-1-2-7(11)6(5)4-10-8/h3-4H,1-2H2
InChIKeyIFLYOMGKTMVBHU-UHFFFAOYSA-N
XLogP1.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 51.86
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 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one?
The IUPAC name of 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one (CID 118142930) is 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one.
What is the SMILES notation for 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one?
The canonical SMILES for 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one is O=C1CCc2cc(Cl)ncc21.
What is the InChIKey of 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one?
The InChIKey is IFLYOMGKTMVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-8-3-5-1-2-7(11)6(5)4-10-8/h3-4H,1-2H2.
What are the key properties of 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one?
3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one has a molecular weight of 167.59 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one is sourced from PubChem (CID 118142930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).