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

C12H10ClNO2S — CID 64601849

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2cncc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO2S/c1-8-2-3-12(17-8)11(15)7-16-10-4-9(13)5-14-6-10/h2-6H,7H2,1H3
InChIKeyXPXXQXWNCZVRCI-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.37
Rot. Bonds4

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

2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64601849) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64601849
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2cncc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO2S/c1-8-2-3-12(17-8)11(15)7-16-10-4-9(13)5-14-6-10/h2-6H,7H2,1H3
InChIKeyXPXXQXWNCZVRCI-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 64600227
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone
CID 64601657
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone
CID 79787027
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone (CID 64601849) is 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)COc2cncc(Cl)c2)s1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is XPXXQXWNCZVRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8-2-3-12(17-8)11(15)7-16-10-4-9(13)5-14-6-10/h2-6H,7H2,1H3.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone?
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 267.74 g/mol, XLogP of 3.37, 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-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64601849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).