5-chloro-1-(2-chloroethyl)indole-2,3-dione

C10H7Cl2NO2 — CID 12634820

IUPAC5-chloro-1-(2-chloroethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCl)c2ccc(Cl)cc21
InChIInChI=1S/C10H7Cl2NO2/c11-3-4-13-8-2-1-6(12)5-7(8)9(14)10(13)15/h1-2,5H,3-4H2
InChIKeyHBWHFSQTTKHPAN-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.11
Rot. Bonds2

About 5-chloro-1-(2-chloroethyl)indole-2,3-dione

5-chloro-1-(2-chloroethyl)indole-2,3-dione (PubChem CID 12634820) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 5-chloro-1-(2-chloroethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-(2-chloroethyl)indole-2,3-dione
PubChem CID12634820
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name5-chloro-1-(2-chloroethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCl)c2ccc(Cl)cc21
InChIInChI=1S/C10H7Cl2NO2/c11-3-4-13-8-2-1-6(12)5-7(8)9(14)10(13)15/h1-2,5H,3-4H2
InChIKeyHBWHFSQTTKHPAN-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chloroethyl)indole-2,3-dione?
The IUPAC name of 5-chloro-1-(2-chloroethyl)indole-2,3-dione (CID 12634820) is 5-chloro-1-(2-chloroethyl)indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-(2-chloroethyl)indole-2,3-dione?
The canonical SMILES for 5-chloro-1-(2-chloroethyl)indole-2,3-dione is O=C1C(=O)N(CCCl)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-(2-chloroethyl)indole-2,3-dione?
The InChIKey is HBWHFSQTTKHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-3-4-13-8-2-1-6(12)5-7(8)9(14)10(13)15/h1-2,5H,3-4H2.
What are the key properties of 5-chloro-1-(2-chloroethyl)indole-2,3-dione?
5-chloro-1-(2-chloroethyl)indole-2,3-dione has a molecular weight of 244.08 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-chloroethyl)indole-2,3-dione is sourced from PubChem (CID 12634820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).