5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one

C10H7ClFN3O — CID 122239385

IUPAC5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O
InChIInChI=1S/C10H7ClFN3O/c11-6-2-1-5(3-7(6)12)9-4-8(13)10(16)15-14-9/h1-4H,(H2,13,14)(H,15,16)
InChIKeyIVDOMKSOIPYZDE-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.81
Rot. Bonds1

About 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one

5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one (PubChem CID 122239385) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one
PubChem CID122239385
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O
InChIInChI=1S/C10H7ClFN3O/c11-6-2-1-5(3-7(6)12)9-4-8(13)10(16)15-14-9/h1-4H,(H2,13,14)(H,15,16)
InChIKeyIVDOMKSOIPYZDE-UHFFFAOYSA-N
XLogP1.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one (CID 122239385) is 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one is Nc1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
The InChIKey is IVDOMKSOIPYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-6-2-1-5(3-7(6)12)9-4-8(13)10(16)15-14-9/h1-4H,(H2,13,14)(H,15,16).
What are the key properties of 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one has a molecular weight of 239.64 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 122239385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).