2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid

C10H6BrNO4 — CID 57161620

IUPAC2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid
SMILESO=C(O)COC1=Nc2ccc(Br)cc2C1=O
InChIInChI=1S/C10H6BrNO4/c11-5-1-2-7-6(3-5)9(15)10(12-7)16-4-8(13)14/h1-3H,4H2,(H,13,14)
InChIKeyWKMMNECVYYUKLR-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid

2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid (PubChem CID 57161620) has the molecular formula C10H6BrNO4 and a molecular weight of 284.07 g/mol. Its IUPAC name is 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid
PubChem CID57161620
Molecular FormulaC10H6BrNO4
Molecular Weight284.07 g/mol
Exact Mass282.95
IUPAC Name2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid
SMILESO=C(O)COC1=Nc2ccc(Br)cc2C1=O
InChIInChI=1S/C10H6BrNO4/c11-5-1-2-7-6(3-5)9(15)10(12-7)16-4-8(13)14/h1-3H,4H2,(H,13,14)
InChIKeyWKMMNECVYYUKLR-UHFFFAOYSA-N
XLogP1.78
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid?
The IUPAC name of 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid (CID 57161620) is 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid?
The canonical SMILES for 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid is O=C(O)COC1=Nc2ccc(Br)cc2C1=O.
What is the InChIKey of 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid?
The InChIKey is WKMMNECVYYUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO4/c11-5-1-2-7-6(3-5)9(15)10(12-7)16-4-8(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid?
2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid has a molecular weight of 284.07 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid is sourced from PubChem (CID 57161620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).