1-(2-bromoethyl)-5-chloro-3H-indol-2-one

C10H9BrClNO — CID 141484546

IUPAC1-(2-bromoethyl)-5-chloro-3H-indol-2-one
SMILESO=C1Cc2cc(Cl)ccc2N1CCBr
InChIInChI=1S/C10H9BrClNO/c11-3-4-13-9-2-1-8(12)5-7(9)6-10(13)14/h1-2,5H,3-4,6H2
InChIKeyAVLZTNRXPFVCGS-UHFFFAOYSA-N
MW274.54 g/mol
LogP2.62
Rot. Bonds2

About 1-(2-bromoethyl)-5-chloro-3H-indol-2-one

1-(2-bromoethyl)-5-chloro-3H-indol-2-one (PubChem CID 141484546) has the molecular formula C10H9BrClNO and a molecular weight of 274.54 g/mol. Its IUPAC name is 1-(2-bromoethyl)-5-chloro-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)-5-chloro-3H-indol-2-one
PubChem CID141484546
Molecular FormulaC10H9BrClNO
Molecular Weight274.54 g/mol
Exact Mass272.96
IUPAC Name1-(2-bromoethyl)-5-chloro-3H-indol-2-one
SMILESO=C1Cc2cc(Cl)ccc2N1CCBr
InChIInChI=1S/C10H9BrClNO/c11-3-4-13-9-2-1-8(12)5-7(9)6-10(13)14/h1-2,5H,3-4,6H2
InChIKeyAVLZTNRXPFVCGS-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-bromoethyl)-5-chloro-3H-indol-2-one?
The IUPAC name of 1-(2-bromoethyl)-5-chloro-3H-indol-2-one (CID 141484546) is 1-(2-bromoethyl)-5-chloro-3H-indol-2-one.
What is the SMILES notation for 1-(2-bromoethyl)-5-chloro-3H-indol-2-one?
The canonical SMILES for 1-(2-bromoethyl)-5-chloro-3H-indol-2-one is O=C1Cc2cc(Cl)ccc2N1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-5-chloro-3H-indol-2-one?
The InChIKey is AVLZTNRXPFVCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c11-3-4-13-9-2-1-8(12)5-7(9)6-10(13)14/h1-2,5H,3-4,6H2.
What are the key properties of 1-(2-bromoethyl)-5-chloro-3H-indol-2-one?
1-(2-bromoethyl)-5-chloro-3H-indol-2-one has a molecular weight of 274.54 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-5-chloro-3H-indol-2-one is sourced from PubChem (CID 141484546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).