1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone

C13H9Cl2NO — CID 70353964

IUPAC1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccncc2)c(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO/c1-8(17)10-2-3-11(13(15)12(10)14)9-4-6-16-7-5-9/h2-7H,1H3
InChIKeyZAFKBZGBXHZNQD-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.26
Rot. Bonds2

About 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone

1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone (PubChem CID 70353964) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone
PubChem CID70353964
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccncc2)c(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO/c1-8(17)10-2-3-11(13(15)12(10)14)9-4-6-16-7-5-9/h2-7H,1H3
InChIKeyZAFKBZGBXHZNQD-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone?
The IUPAC name of 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone (CID 70353964) is 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone is CC(=O)c1ccc(-c2ccncc2)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone?
The InChIKey is ZAFKBZGBXHZNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c1-8(17)10-2-3-11(13(15)12(10)14)9-4-6-16-7-5-9/h2-7H,1H3.
What are the key properties of 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone?
1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone has a molecular weight of 266.13 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-pyridin-4-ylphenyl)ethanone is sourced from PubChem (CID 70353964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).