9-chloro-1H-benzo[f]indole-2,3-dione

C12H6ClNO2 — CID 25082926

IUPAC9-chloro-1H-benzo[f]indole-2,3-dione
SMILESO=C1Nc2c(cc3ccccc3c2Cl)C1=O
InChIInChI=1S/C12H6ClNO2/c13-9-7-4-2-1-3-6(7)5-8-10(9)14-12(16)11(8)15/h1-5H,(H,14,15,16)
InChIKeyWVMGTTTWIITCGU-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.63
Rot. Bonds

About 9-chloro-1H-benzo[f]indole-2,3-dione

9-chloro-1H-benzo[f]indole-2,3-dione (PubChem CID 25082926) has the molecular formula C12H6ClNO2 and a molecular weight of 231.64 g/mol. Its IUPAC name is 9-chloro-1H-benzo[f]indole-2,3-dione.

Molecular Properties

Compound Name9-chloro-1H-benzo[f]indole-2,3-dione
PubChem CID25082926
Molecular FormulaC12H6ClNO2
Molecular Weight231.64 g/mol
Exact Mass231.01
IUPAC Name9-chloro-1H-benzo[f]indole-2,3-dione
SMILESO=C1Nc2c(cc3ccccc3c2Cl)C1=O
InChIInChI=1S/C12H6ClNO2/c13-9-7-4-2-1-3-6(7)5-8-10(9)14-12(16)11(8)15/h1-5H,(H,14,15,16)
InChIKeyWVMGTTTWIITCGU-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.63
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 9-chloro-1H-benzo[f]indole-2,3-dione?
The IUPAC name of 9-chloro-1H-benzo[f]indole-2,3-dione (CID 25082926) is 9-chloro-1H-benzo[f]indole-2,3-dione.
What is the SMILES notation for 9-chloro-1H-benzo[f]indole-2,3-dione?
The canonical SMILES for 9-chloro-1H-benzo[f]indole-2,3-dione is O=C1Nc2c(cc3ccccc3c2Cl)C1=O.
What is the InChIKey of 9-chloro-1H-benzo[f]indole-2,3-dione?
The InChIKey is WVMGTTTWIITCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO2/c13-9-7-4-2-1-3-6(7)5-8-10(9)14-12(16)11(8)15/h1-5H,(H,14,15,16).
What are the key properties of 9-chloro-1H-benzo[f]indole-2,3-dione?
9-chloro-1H-benzo[f]indole-2,3-dione has a molecular weight of 231.64 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1H-benzo[f]indole-2,3-dione is sourced from PubChem (CID 25082926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).