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

C7H4Cl2N2O — CID 74316074

IUPAC5,7-dichloro-2,7-dihydroindazol-3-one
SMILESO=C1NN=C2C1=CC(Cl)=CC2Cl
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4-6(5(9)2-3)10-11-7(4)12/h1-2,5H,(H,11,12)
InChIKeyVQBWULKNQISGNR-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.14
Rot. Bonds

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 Name5,7-dichloro-2,7-dihydroindazol-3-one
PubChem CID74316074
Molecular FormulaC7H4Cl2N2O
Molecular Weight203.03 g/mol
Exact Mass201.97
IUPAC Name5,7-dichloro-2,7-dihydroindazol-3-one
SMILESO=C1NN=C2C1=CC(Cl)=CC2Cl
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4-6(5(9)2-3)10-11-7(4)12/h1-2,5H,(H,11,12)
InChIKeyVQBWULKNQISGNR-UHFFFAOYSA-N
XLogP1.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3H-Indazol-3-one, 5-chloro-7-fluoro-1,2-dihydro-
CID 156595250
2,7-Dihydroindazol-3-one
CID 68805202

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).