4,5-dichloro-1H-indole-2,3-dione

C8H3Cl2NO2 — CID 5139980

IUPAC4,5-dichloro-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(Cl)c(Cl)c2C1=O
InChIInChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChIKeyWWSWHYAXEFLETD-UHFFFAOYSA-N
MW216.02 g/mol
LogP2.13
Rot. Bonds

About 4,5-dichloro-1H-indole-2,3-dione

4,5-dichloro-1H-indole-2,3-dione (PubChem CID 5139980) has the molecular formula C8H3Cl2NO2 and a molecular weight of 216.02 g/mol. Its IUPAC name is 4,5-dichloro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4,5-dichloro-1H-indole-2,3-dione
PubChem CID5139980
Molecular FormulaC8H3Cl2NO2
Molecular Weight216.02 g/mol
Exact Mass214.95
IUPAC Name4,5-dichloro-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(Cl)c(Cl)c2C1=O
InChIInChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChIKeyWWSWHYAXEFLETD-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,5-dichloro-1H-indole-2,3-dione?
The IUPAC name of 4,5-dichloro-1H-indole-2,3-dione (CID 5139980) is 4,5-dichloro-1H-indole-2,3-dione.
What is the SMILES notation for 4,5-dichloro-1H-indole-2,3-dione?
The canonical SMILES for 4,5-dichloro-1H-indole-2,3-dione is O=C1Nc2ccc(Cl)c(Cl)c2C1=O.
What is the InChIKey of 4,5-dichloro-1H-indole-2,3-dione?
The InChIKey is WWSWHYAXEFLETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13).
What are the key properties of 4,5-dichloro-1H-indole-2,3-dione?
4,5-dichloro-1H-indole-2,3-dione has a molecular weight of 216.02 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1H-indole-2,3-dione is sourced from PubChem (CID 5139980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).