3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one

C10H9Cl2NO — CID 130045264

IUPAC3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one
SMILESO=C1CCC(c2cc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H9Cl2NO/c11-9-5-13-10(12)4-8(9)6-1-2-7(14)3-6/h4-6H,1-3H2
InChIKeyGCEDKBMMXTYUMZ-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.22
Rot. Bonds1

About 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one

3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one (PubChem CID 130045264) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one
PubChem CID130045264
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one
SMILESO=C1CCC(c2cc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H9Cl2NO/c11-9-5-13-10(12)4-8(9)6-1-2-7(14)3-6/h4-6H,1-3H2
InChIKeyGCEDKBMMXTYUMZ-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.22
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-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one?
The IUPAC name of 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one (CID 130045264) is 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one?
The canonical SMILES for 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one is O=C1CCC(c2cc(Cl)ncc2Cl)C1.
What is the InChIKey of 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one?
The InChIKey is GCEDKBMMXTYUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-9-5-13-10(12)4-8(9)6-1-2-7(14)3-6/h4-6H,1-3H2.
What are the key properties of 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one?
3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one has a molecular weight of 230.09 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-pyridinyl)cyclopentan-1-one is sourced from PubChem (CID 130045264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).