6-chloro-7-methyl-1H-indole-2,3-dione

C9H6ClNO2 — CID 4513067

IUPAC6-chloro-7-methyl-1H-indole-2,3-dione
SMILESCc1c(Cl)ccc2c1NC(=O)C2=O
InChIInChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeySFWRUGVSPIELCW-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.78
Rot. Bonds

About 6-chloro-7-methyl-1H-indole-2,3-dione

6-chloro-7-methyl-1H-indole-2,3-dione (PubChem CID 4513067) has the molecular formula C9H6ClNO2 and a molecular weight of 195.60 g/mol. Its IUPAC name is 6-chloro-7-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-methyl-1H-indole-2,3-dione
PubChem CID4513067
Molecular FormulaC9H6ClNO2
Molecular Weight195.60 g/mol
Exact Mass195.01
IUPAC Name6-chloro-7-methyl-1H-indole-2,3-dione
SMILESCc1c(Cl)ccc2c1NC(=O)C2=O
InChIInChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeySFWRUGVSPIELCW-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 51.78
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 6-chloro-7-methyl-1H-indole-2,3-dione?
The IUPAC name of 6-chloro-7-methyl-1H-indole-2,3-dione (CID 4513067) is 6-chloro-7-methyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-chloro-7-methyl-1H-indole-2,3-dione?
The canonical SMILES for 6-chloro-7-methyl-1H-indole-2,3-dione is Cc1c(Cl)ccc2c1NC(=O)C2=O.
What is the InChIKey of 6-chloro-7-methyl-1H-indole-2,3-dione?
The InChIKey is SFWRUGVSPIELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13).
What are the key properties of 6-chloro-7-methyl-1H-indole-2,3-dione?
6-chloro-7-methyl-1H-indole-2,3-dione has a molecular weight of 195.60 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 4513067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).