2-(4-chlorophenoxy)-1-pyridin-3-ylethanone

C13H10ClNO2 — CID 86157573

IUPAC2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-5-12(6-4-11)17-9-13(16)10-2-1-7-15-8-10/h1-8H,9H2
InChIKeyZOWPPGVWMSMKQU-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone

2-(4-chlorophenoxy)-1-pyridin-3-ylethanone (PubChem CID 86157573) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
PubChem CID86157573
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-5-12(6-4-11)17-9-13(16)10-2-1-7-15-8-10/h1-8H,9H2
InChIKeyZOWPPGVWMSMKQU-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone
CID 25193579
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
3-[4-[(4-chlorophenyl)methoxy]phenyl]propyl pyridine-3-carboxylate
CID 3068165
2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 87002083
1-(3,5-dichlorophenyl)-2-phenoxyethanone
CID 146005989
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 4861173
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone (CID 86157573) is 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone is O=C(COc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone?
The InChIKey is ZOWPPGVWMSMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-11-3-5-12(6-4-11)17-9-13(16)10-2-1-7-15-8-10/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone?
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone has a molecular weight of 247.68 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-pyridin-3-ylethanone is sourced from PubChem (CID 86157573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).