4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one

C15H14BrNO2 — CID 55086755

IUPAC4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
SMILESO=C(CCOc1cccc(Br)c1)Cc1cccnc1
InChIInChI=1S/C15H14BrNO2/c16-13-4-1-5-15(10-13)19-8-6-14(18)9-12-3-2-7-17-11-12/h1-5,7,10-11H,6,8-9H2
InChIKeyWTAGRTFLSOTCDU-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.42
Rot. Bonds6

About 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one

4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one (PubChem CID 55086755) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
PubChem CID55086755
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
SMILESO=C(CCOc1cccc(Br)c1)Cc1cccnc1
InChIInChI=1S/C15H14BrNO2/c16-13-4-1-5-15(10-13)19-8-6-14(18)9-12-3-2-7-17-11-12/h1-5,7,10-11H,6,8-9H2
InChIKeyWTAGRTFLSOTCDU-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
3-(3-bromophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134045003
3-(3-bromophenoxy)-1-pyrazin-2-ylpropan-1-one
CID 54971804
4-ethoxy-1-pyridin-3-ylbutan-2-one
CID 94504995
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
CID 61315802
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one?
The IUPAC name of 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one (CID 55086755) is 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one?
The canonical SMILES for 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one is O=C(CCOc1cccc(Br)c1)Cc1cccnc1.
What is the InChIKey of 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one?
The InChIKey is WTAGRTFLSOTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-4-1-5-15(10-13)19-8-6-14(18)9-12-3-2-7-17-11-12/h1-5,7,10-11H,6,8-9H2.
What are the key properties of 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one?
4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one has a molecular weight of 320.19 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 55086755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).