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

C14H10ClNO4 — CID 64601657

IUPAC1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone
SMILESO=C(COc1cncc(Cl)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10ClNO4/c15-10-4-11(6-16-5-10)18-7-12(17)9-1-2-13-14(3-9)20-8-19-13/h1-6H,7-8H2
InChIKeyFHFPPVAGONIYOP-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.73
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone (PubChem CID 64601657) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone
PubChem CID64601657
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone
SMILESO=C(COc1cncc(Cl)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10ClNO4/c15-10-4-11(6-16-5-10)18-7-12(17)9-1-2-13-14(3-9)20-8-19-13/h1-6H,7-8H2
InChIKeyFHFPPVAGONIYOP-UHFFFAOYSA-N
XLogP2.73
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
CID 64601849
1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8528159
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
CID 38114433
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 64600227
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985579
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413749
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-iodophenoxy)ethanone
CID 7473176
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326283
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8632154
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140974
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589291

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone (CID 64601657) is 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone is O=C(COc1cncc(Cl)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone?
The InChIKey is FHFPPVAGONIYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-10-4-11(6-16-5-10)18-7-12(17)9-1-2-13-14(3-9)20-8-19-13/h1-6H,7-8H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone?
1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone has a molecular weight of 291.69 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone is sourced from PubChem (CID 64601657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).