1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one

C14H11Cl2NO2 — CID 112583858

IUPAC1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H11Cl2NO2/c1-2-14(18)13-6-4-10(8-17-13)19-9-3-5-11(15)12(16)7-9/h3-8H,2H2,1H3
InChIKeySBFYJZFHCXAUHA-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.77
Rot. Bonds4

About 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one

1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one (PubChem CID 112583858) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
PubChem CID112583858
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H11Cl2NO2/c1-2-14(18)13-6-4-10(8-17-13)19-9-3-5-11(15)12(16)7-9/h3-8H,2H2,1H3
InChIKeySBFYJZFHCXAUHA-UHFFFAOYSA-N
XLogP4.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
CID 112583808
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 107717066
1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
CID 116801615
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
CID 115939078
2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
CID 115940898
1-(5-octoxy-2-pyridinyl)propan-1-one
CID 112583834
1-[5-(3-methylbut-3-enoxy)-2-pyridinyl]propan-1-one
CID 114470248
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
CID 89241370
CID 89241370
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one (CID 112583858) is 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one?
The InChIKey is SBFYJZFHCXAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-2-14(18)13-6-4-10(8-17-13)19-9-3-5-11(15)12(16)7-9/h3-8H,2H2,1H3.
What are the key properties of 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one?
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one has a molecular weight of 296.15 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).