1,3,5-trichloropyridin-4-one

C5H2Cl3NO — CID 13351798

IUPAC1,3,5-trichloropyridin-4-one
SMILESO=c1c(Cl)cn(Cl)cc1Cl
InChIInChI=1S/C5H2Cl3NO/c6-3-1-9(8)2-4(7)5(3)10/h1-2H
InChIKeyROTBZEUVNTVIRC-UHFFFAOYSA-N
MW198.44 g/mol
LogP2.16
Rot. Bonds

About 1,3,5-trichloropyridin-4-one

1,3,5-trichloropyridin-4-one (PubChem CID 13351798) has the molecular formula C5H2Cl3NO and a molecular weight of 198.44 g/mol. Its IUPAC name is 1,3,5-trichloropyridin-4-one.

Molecular Properties

Compound Name1,3,5-trichloropyridin-4-one
PubChem CID13351798
Molecular FormulaC5H2Cl3NO
Molecular Weight198.44 g/mol
Exact Mass196.92
IUPAC Name1,3,5-trichloropyridin-4-one
SMILESO=c1c(Cl)cn(Cl)cc1Cl
InChIInChI=1S/C5H2Cl3NO/c6-3-1-9(8)2-4(7)5(3)10/h1-2H
InChIKeyROTBZEUVNTVIRC-UHFFFAOYSA-N
XLogP2.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloropyridin-4-one?
The IUPAC name of 1,3,5-trichloropyridin-4-one (CID 13351798) is 1,3,5-trichloropyridin-4-one.
What is the SMILES notation for 1,3,5-trichloropyridin-4-one?
The canonical SMILES for 1,3,5-trichloropyridin-4-one is O=c1c(Cl)cn(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloropyridin-4-one?
The InChIKey is ROTBZEUVNTVIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3NO/c6-3-1-9(8)2-4(7)5(3)10/h1-2H.
What are the key properties of 1,3,5-trichloropyridin-4-one?
1,3,5-trichloropyridin-4-one has a molecular weight of 198.44 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloropyridin-4-one is sourced from PubChem (CID 13351798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).