3,5-dichloro-1-(2-oxopropyl)pyridin-4-one

C8H7Cl2NO2 — CID 2726700

IUPAC3,5-dichloro-1-(2-oxopropyl)pyridin-4-one
SMILESCC(=O)Cn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO2/c1-5(12)2-11-3-6(9)8(13)7(10)4-11/h3-4H,2H2,1H3
InChIKeyYUQCBILJXSAZBB-UHFFFAOYSA-N
MW220.05 g/mol
LogP1.74
Rot. Bonds2

About 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one

3,5-dichloro-1-(2-oxopropyl)pyridin-4-one (PubChem CID 2726700) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-1-(2-oxopropyl)pyridin-4-one
PubChem CID2726700
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name3,5-dichloro-1-(2-oxopropyl)pyridin-4-one
SMILESCC(=O)Cn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO2/c1-5(12)2-11-3-6(9)8(13)7(10)4-11/h3-4H,2H2,1H3
InChIKeyYUQCBILJXSAZBB-UHFFFAOYSA-N
XLogP1.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one?
The IUPAC name of 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one (CID 2726700) is 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one.
What is the SMILES notation for 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one?
The canonical SMILES for 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one is CC(=O)Cn1cc(Cl)c(=O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one?
The InChIKey is YUQCBILJXSAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-5(12)2-11-3-6(9)8(13)7(10)4-11/h3-4H,2H2,1H3.
What are the key properties of 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one?
3,5-dichloro-1-(2-oxopropyl)pyridin-4-one has a molecular weight of 220.05 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(2-oxopropyl)pyridin-4-one is sourced from PubChem (CID 2726700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).