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

C10H9Cl2NO — CID 130040730

IUPAC2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one
SMILESO=C1CCCC1c1c(Cl)cncc1Cl
InChIInChI=1S/C10H9Cl2NO/c11-7-4-13-5-8(12)10(7)6-2-1-3-9(6)14/h4-6H,1-3H2
InChIKeyKRERTUTXVSJNBS-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.22
Rot. Bonds1

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

2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one (PubChem CID 130040730) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one
PubChem CID130040730
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one
SMILESO=C1CCCC1c1c(Cl)cncc1Cl
InChIInChI=1S/C10H9Cl2NO/c11-7-4-13-5-8(12)10(7)6-2-1-3-9(6)14/h4-6H,1-3H2
InChIKeyKRERTUTXVSJNBS-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one (CID 130040730) is 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one is O=C1CCCC1c1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one?
The InChIKey is KRERTUTXVSJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-7-4-13-5-8(12)10(7)6-2-1-3-9(6)14/h4-6H,1-3H2.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one?
2-(3,5-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 2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one is sourced from PubChem (CID 130040730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).