2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone

C11H7Cl2NO2S — CID 64600227

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1cncc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H7Cl2NO2S/c12-7-3-8(5-14-4-7)16-6-9(15)10-1-2-11(13)17-10/h1-5H,6H2
InChIKeyBGAKQQMEMKFQNQ-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.71
Rot. Bonds4

About 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone

2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 64600227) has the molecular formula C11H7Cl2NO2S and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID64600227
Molecular FormulaC11H7Cl2NO2S
Molecular Weight288.16 g/mol
Exact Mass286.96
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1cncc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H7Cl2NO2S/c12-7-3-8(5-14-4-7)16-6-9(15)10-1-2-11(13)17-10/h1-5H,6H2
InChIKeyBGAKQQMEMKFQNQ-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone (CID 64600227) is 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone is O=C(COc1cncc(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is BGAKQQMEMKFQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2S/c12-7-3-8(5-14-4-7)16-6-9(15)10-1-2-11(13)17-10/h1-5H,6H2.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone?
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 288.16 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 64600227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).