2-(5,7-dibromoquinolin-8-yl)oxyacetic acid

C11H7Br2NO3 — CID 16778073

IUPAC2-(5,7-dibromoquinolin-8-yl)oxyacetic acid
SMILESO=C(O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C11H7Br2NO3/c12-7-4-8(13)11(17-5-9(15)16)10-6(7)2-1-3-14-10/h1-4H,5H2,(H,15,16)
InChIKeySJKFFGFLLUHZIW-UHFFFAOYSA-N
MW360.99 g/mol
LogP3.22
Rot. Bonds3

About 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid

2-(5,7-dibromoquinolin-8-yl)oxyacetic acid (PubChem CID 16778073) has the molecular formula C11H7Br2NO3 and a molecular weight of 360.99 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxyacetic acid
PubChem CID16778073
Molecular FormulaC11H7Br2NO3
Molecular Weight360.99 g/mol
Exact Mass358.88
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxyacetic acid
SMILESO=C(O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C11H7Br2NO3/c12-7-4-8(13)11(17-5-9(15)16)10-6(7)2-1-3-14-10/h1-4H,5H2,(H,15,16)
InChIKeySJKFFGFLLUHZIW-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid (CID 16778073) is 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid is O=C(O)COc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid?
The InChIKey is SJKFFGFLLUHZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO3/c12-7-4-8(13)11(17-5-9(15)16)10-6(7)2-1-3-14-10/h1-4H,5H2,(H,15,16).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid?
2-(5,7-dibromoquinolin-8-yl)oxyacetic acid has a molecular weight of 360.99 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxyacetic acid is sourced from PubChem (CID 16778073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).