2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid

C10H6BrNO4 — CID 16777655

IUPAC2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C10H6BrNO4/c11-5-2-1-3-6-8(5)9(15)10(16)12(6)4-7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyCJRXXFABRIITDC-UHFFFAOYSA-N
MW284.06 g/mol
LogP1.06
Rot. Bonds2

About 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid

2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid (PubChem CID 16777655) has the molecular formula C10H6BrNO4 and a molecular weight of 284.06 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid
PubChem CID16777655
Molecular FormulaC10H6BrNO4
Molecular Weight284.06 g/mol
Exact Mass282.95
IUPAC Name2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C10H6BrNO4/c11-5-2-1-3-6-8(5)9(15)10(16)12(6)4-7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyCJRXXFABRIITDC-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid?
The IUPAC name of 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid (CID 16777655) is 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid is O=C(O)CN1C(=O)C(=O)c2c(Br)cccc21.
What is the InChIKey of 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid?
The InChIKey is CJRXXFABRIITDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO4/c11-5-2-1-3-6-8(5)9(15)10(16)12(6)4-7(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid?
2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid has a molecular weight of 284.06 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid is sourced from PubChem (CID 16777655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).