3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one

C10H5Cl2FN2O — CID 60929393

IUPAC3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cc(F)c(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C10H5Cl2FN2O/c11-6-4-7(12)8(13)3-5(6)9-1-2-10(16)15-14-9/h1-4H,(H,15,16)
InChIKeyHRHWLGROIKROFE-UHFFFAOYSA-N
MW259.07 g/mol
LogP2.88
Rot. Bonds1

About 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one

3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one (PubChem CID 60929393) has the molecular formula C10H5Cl2FN2O and a molecular weight of 259.07 g/mol. Its IUPAC name is 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one
PubChem CID60929393
Molecular FormulaC10H5Cl2FN2O
Molecular Weight259.07 g/mol
Exact Mass257.98
IUPAC Name3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cc(F)c(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C10H5Cl2FN2O/c11-6-4-7(12)8(13)3-5(6)9-1-2-10(16)15-14-9/h1-4H,(H,15,16)
InChIKeyHRHWLGROIKROFE-UHFFFAOYSA-N
XLogP2.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one (CID 60929393) is 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one is O=c1ccc(-c2cc(F)c(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one?
The InChIKey is HRHWLGROIKROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2O/c11-6-4-7(12)8(13)3-5(6)9-1-2-10(16)15-14-9/h1-4H,(H,15,16).
What are the key properties of 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one?
3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one has a molecular weight of 259.07 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-5-fluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 60929393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).