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

C13H8Cl4N2O — CID 54354785

IUPAC1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one
SMILESO=C(Cc1c(Cl)cncc1Cl)Cc1c(Cl)cncc1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-10-3-18-4-11(15)8(10)1-7(20)2-9-12(16)5-19-6-13(9)17/h3-6H,1-2H2
InChIKeyUIJAQUAPFQTDGA-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.44
Rot. Bonds4

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

1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one (PubChem CID 54354785) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one
PubChem CID54354785
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC Name1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one
SMILESO=C(Cc1c(Cl)cncc1Cl)Cc1c(Cl)cncc1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-10-3-18-4-11(15)8(10)1-7(20)2-9-12(16)5-19-6-13(9)17/h3-6H,1-2H2
InChIKeyUIJAQUAPFQTDGA-UHFFFAOYSA-N
XLogP4.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one?
The IUPAC name of 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one (CID 54354785) is 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one.
What is the SMILES notation for 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one?
The canonical SMILES for 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one is O=C(Cc1c(Cl)cncc1Cl)Cc1c(Cl)cncc1Cl.
What is the InChIKey of 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one?
The InChIKey is UIJAQUAPFQTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-10-3-18-4-11(15)8(10)1-7(20)2-9-12(16)5-19-6-13(9)17/h3-6H,1-2H2.
What are the key properties of 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one?
1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one has a molecular weight of 350.03 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dichloro-4-pyridinyl)propan-2-one is sourced from PubChem (CID 54354785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).