1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione

C10H9Cl2NO2 — CID 165000552

IUPAC1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c1-6(14)2-3-9(15)10-8(12)4-7(11)5-13-10/h4-5H,2-3H2,1H3
InChIKeyPQQNDOFRJDYJCL-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.94
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione

1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione (PubChem CID 165000552) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
PubChem CID165000552
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c1-6(14)2-3-9(15)10-8(12)4-7(11)5-13-10/h4-5H,2-3H2,1H3
InChIKeyPQQNDOFRJDYJCL-UHFFFAOYSA-N
XLogP2.94
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione (CID 165000552) is 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione is CC(=O)CCC(=O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione?
The InChIKey is PQQNDOFRJDYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-6(14)2-3-9(15)10-8(12)4-7(11)5-13-10/h4-5H,2-3H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione?
1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione has a molecular weight of 246.09 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione is sourced from PubChem (CID 165000552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).