5-chloro-1H-benzo[f]indazole-4,9-dione

C11H5ClN2O2 — CID 501296

IUPAC5-chloro-1H-benzo[f]indazole-4,9-dione
SMILESO=C1c2cccc(Cl)c2C(=O)c2cn[nH]c21
InChIInChI=1S/C11H5ClN2O2/c12-7-3-1-2-5-8(7)10(15)6-4-13-14-9(6)11(5)16/h1-4H,(H,13,14)
InChIKeyPUUPZROXMMYBNL-UHFFFAOYSA-N
MW232.63 g/mol
LogP1.84
Rot. Bonds

About 5-chloro-1H-benzo[f]indazole-4,9-dione

5-chloro-1H-benzo[f]indazole-4,9-dione (PubChem CID 501296) has the molecular formula C11H5ClN2O2 and a molecular weight of 232.63 g/mol. Its IUPAC name is 5-chloro-1H-benzo[f]indazole-4,9-dione.

Molecular Properties

Compound Name5-chloro-1H-benzo[f]indazole-4,9-dione
PubChem CID501296
Molecular FormulaC11H5ClN2O2
Molecular Weight232.63 g/mol
Exact Mass232.00
IUPAC Name5-chloro-1H-benzo[f]indazole-4,9-dione
SMILESO=C1c2cccc(Cl)c2C(=O)c2cn[nH]c21
InChIInChI=1S/C11H5ClN2O2/c12-7-3-1-2-5-8(7)10(15)6-4-13-14-9(6)11(5)16/h1-4H,(H,13,14)
InChIKeyPUUPZROXMMYBNL-UHFFFAOYSA-N
XLogP1.84
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-benzo[f]indazole-4,9-dione?
The IUPAC name of 5-chloro-1H-benzo[f]indazole-4,9-dione (CID 501296) is 5-chloro-1H-benzo[f]indazole-4,9-dione.
What is the SMILES notation for 5-chloro-1H-benzo[f]indazole-4,9-dione?
The canonical SMILES for 5-chloro-1H-benzo[f]indazole-4,9-dione is O=C1c2cccc(Cl)c2C(=O)c2cn[nH]c21.
What is the InChIKey of 5-chloro-1H-benzo[f]indazole-4,9-dione?
The InChIKey is PUUPZROXMMYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O2/c12-7-3-1-2-5-8(7)10(15)6-4-13-14-9(6)11(5)16/h1-4H,(H,13,14).
What are the key properties of 5-chloro-1H-benzo[f]indazole-4,9-dione?
5-chloro-1H-benzo[f]indazole-4,9-dione has a molecular weight of 232.63 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-benzo[f]indazole-4,9-dione is sourced from PubChem (CID 501296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).