5,7-dichloro-2,7-dihydroindazol-3-one

C₇H₄Cl₂N₂O — CID 74316074

About 5,7-dichloro-2,7-dihydroindazol-3-one

5,7-dichloro-2,7-dihydroindazol-3-one (PubChem CID 74316074) has the molecular formula C₇H₄Cl₂N₂O and a molecular weight of 203.03 g/mol. Its IUPAC name is 5,7-dichloro-2,7-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 5,7-dichloro-2,7-dihydroindazol-3-one
• PubChem CID: 74316074
• Molecular Formula: C₇H₄Cl₂N₂O
• Molecular Weight: 203.03 g/mol
• Exact Mass: 201.97
• IUPAC Name: 5,7-dichloro-2,7-dihydroindazol-3-one
• SMILES: O=C1NN=C2C1=CC(Cl)=CC2Cl
• InChI: InChI=1S/C7H4Cl2N2O/c8-3-1-4-6(5(9)2-3)10-11-7(4)12/h1-2,5H,(H,11,12)
• InChIKey: VQBWULKNQISGNR-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.03
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2,7-dihydroindazol-3-one?

The IUPAC name of 5,7-dichloro-2,7-dihydroindazol-3-one (CID 74316074) is 5,7-dichloro-2,7-dihydroindazol-3-one.

What is the SMILES notation for 5,7-dichloro-2,7-dihydroindazol-3-one?

The canonical SMILES for 5,7-dichloro-2,7-dihydroindazol-3-one is O=C1NN=C2C1=CC(Cl)=CC2Cl.

What is the InChIKey of 5,7-dichloro-2,7-dihydroindazol-3-one?

The InChIKey is VQBWULKNQISGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O/c8-3-1-4-6(5(9)2-3)10-11-7(4)12/h1-2,5H,(H,11,12).

What are the key properties of 5,7-dichloro-2,7-dihydroindazol-3-one?

5,7-dichloro-2,7-dihydroindazol-3-one has a molecular weight of 203.03 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dichloro-2,7-dihydroindazol-3-one is sourced from PubChem (CID 74316074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74316074 — identifiers, structure, computed properties (public domain)

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