1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone

C13H8Cl3NO — CID 144561635

IUPAC1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(Cl)c(Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H8Cl3NO/c1-7(18)11-6-10(15)12(16)13(17-11)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyFCVVEAHWMYECQK-UHFFFAOYSA-N
MW300.57 g/mol
LogP4.91
Rot. Bonds2

About 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone

1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone (PubChem CID 144561635) has the molecular formula C13H8Cl3NO and a molecular weight of 300.57 g/mol. Its IUPAC name is 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone
PubChem CID144561635
Molecular FormulaC13H8Cl3NO
Molecular Weight300.57 g/mol
Exact Mass298.97
IUPAC Name1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(Cl)c(Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H8Cl3NO/c1-7(18)11-6-10(15)12(16)13(17-11)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyFCVVEAHWMYECQK-UHFFFAOYSA-N
XLogP4.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone (CID 144561635) is 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone is CC(=O)c1cc(Cl)c(Cl)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone?
The InChIKey is FCVVEAHWMYECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO/c1-7(18)11-6-10(15)12(16)13(17-11)8-2-4-9(14)5-3-8/h2-6H,1H3.
What are the key properties of 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone?
1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone has a molecular weight of 300.57 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dichloro-6-(4-chlorophenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 144561635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).