5-(2-bromoacetyl)-6-chloroindol-2-one

C10H5BrClNO2 — CID 175382192

IUPAC5-(2-bromoacetyl)-6-chloroindol-2-one
SMILESO=C1C=c2cc(C(=O)CBr)c(Cl)cc2=N1
InChIInChI=1S/C10H5BrClNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1-3H,4H2
InChIKeyWJUUYLHBPROSKB-UHFFFAOYSA-N
MW286.51 g/mol
LogP0.86
Rot. Bonds2

About 5-(2-bromoacetyl)-6-chloroindol-2-one

5-(2-bromoacetyl)-6-chloroindol-2-one (PubChem CID 175382192) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 5-(2-bromoacetyl)-6-chloroindol-2-one.

Molecular Properties

Compound Name5-(2-bromoacetyl)-6-chloroindol-2-one
PubChem CID175382192
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name5-(2-bromoacetyl)-6-chloroindol-2-one
SMILESO=C1C=c2cc(C(=O)CBr)c(Cl)cc2=N1
InChIInChI=1S/C10H5BrClNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1-3H,4H2
InChIKeyWJUUYLHBPROSKB-UHFFFAOYSA-N
XLogP0.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoacetyl)-6-chloroindol-2-one?
The IUPAC name of 5-(2-bromoacetyl)-6-chloroindol-2-one (CID 175382192) is 5-(2-bromoacetyl)-6-chloroindol-2-one.
What is the SMILES notation for 5-(2-bromoacetyl)-6-chloroindol-2-one?
The canonical SMILES for 5-(2-bromoacetyl)-6-chloroindol-2-one is O=C1C=c2cc(C(=O)CBr)c(Cl)cc2=N1.
What is the InChIKey of 5-(2-bromoacetyl)-6-chloroindol-2-one?
The InChIKey is WJUUYLHBPROSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1-3H,4H2.
What are the key properties of 5-(2-bromoacetyl)-6-chloroindol-2-one?
5-(2-bromoacetyl)-6-chloroindol-2-one has a molecular weight of 286.51 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)-6-chloroindol-2-one is sourced from PubChem (CID 175382192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).